data_1v95_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 1v95 _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 ' 9' ' ' VAL . . . . . 0.409 HG12 ' N ' ' A' ' 12' ' ' SER . 93.6 t . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -44.11 -44.96 7.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.152 . . . . 0.0 109.363 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 49.7 t -146.37 101.64 3.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 108.301 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.409 ' N ' HG12 ' A' ' 9' ' ' VAL . 0.5 OUTLIER -87.81 137.84 31.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.178 . . . . 0.0 110.022 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 73.3 t -97.65 126.67 50.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.43 HG23 ' CD2' ' A' ' 49' ' ' LEU . 3.9 mm -103.29 116.69 47.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.465 ' CG2' ' O ' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -132.07 99.91 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.3 m -69.96 -43.85 79.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.355 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.465 ' O ' ' CG2' ' A' ' 15' ' ' VAL . 0.6 OUTLIER -76.86 169.46 18.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -104.07 -45.17 4.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.12 -39.09 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.7 p -85.35 49.25 1.72 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.439 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -86.83 -40.66 14.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -81.17 -54.44 5.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.502 ' CE2' ' HA ' ' A' ' 72' ' ' GLN . 2.3 t80 -48.95 -42.58 37.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.54 -33.27 62.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -14.4 17.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.32 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 29' ' ' ARG . 8.9 t -91.37 -67.28 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.96 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 26' ' ' SER . 0.3 OUTLIER -39.38 -34.19 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.404 ' N ' ' C ' ' A' ' 26' ' ' SER . . . -72.52 -48.83 21.73 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.551 1.157 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.3 ptt180 -67.01 -29.79 69.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 0.742 . . . . 0.0 110.34 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -58.88 -43.85 91.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.344 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.45 HG11 ' CG2' ' A' ' 38' ' ' VAL . 99.5 t -68.51 -25.54 31.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -75.08 -32.3 61.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -61.59 -18.1 57.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.403 ' CD1' ' HA ' ' A' ' 31' ' ' VAL . 0.8 OUTLIER -89.98 -12.5 38.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.35 26.47 10.06 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.418 ' CE ' ' HB2' ' A' ' 105' ' ' TYR . 74.6 mtp -112.05 133.46 54.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 0.726 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 49.2 t -65.76 126.44 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.45 ' CG2' HG11 ' A' ' 31' ' ' VAL . 84.2 t -134.85 148.5 29.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -137.1 168.34 19.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.03 126.29 51.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 21.2 mt -109.89 112.07 38.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -99.47 124.19 44.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.8 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.43 ' CD2' HG23 ' A' ' 14' ' ' ILE . 0.8 OUTLIER -62.09 -58.84 6.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 53' ' ' LEU . 0.7 OUTLIER -42.19 -55.05 3.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.996 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -41.66 -36.97 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.334 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.79 -41.18 23.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.273 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 50' ' ' SER . 80.0 mt -59.09 -38.22 78.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -64.43 -40.03 94.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 0.0 110.257 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.471 ' HA ' ' CD ' ' A' ' 58' ' ' ARG . 14.7 t0 -76.3 -25.48 54.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.455 HG12 ' CB ' ' A' ' 61' ' ' SER . 19.0 t -62.45 -53.39 47.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.087 . . . . 0.0 109.245 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.48 -61.94 1.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.003 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.471 ' CD ' ' HA ' ' A' ' 55' ' ' ASP . 0.2 OUTLIER -49.94 -34.09 19.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.318 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -71.28 -30.29 67.36 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 120.9 -27.89 6.32 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.455 ' CB ' HG12 ' A' ' 56' ' ' VAL . 0.5 OUTLIER -41.33 108.99 0.61 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 110.02 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.1 Cg_endo -75.03 -37.04 2.19 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.478 1.778 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.567 ' CD1' HG12 ' A' ' 81' ' ' ILE . 10.7 m-30 -116.58 135.93 53.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -129.09 123.47 32.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 11.1 mt -95.1 137.86 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.638 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 0.5 OUTLIER -104.81 130.15 56.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.8 mm -127.01 151.31 33.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.583 1.177 . . . . 0.0 109.289 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.419 HG21 ' ND1' ' A' ' 71' ' ' HIS . 1.6 t -175.83 161.63 2.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 110.39 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.43 ' O ' ' CB ' ' A' ' 72' ' ' GLN . 1.4 mt-30 -38.51 -65.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 73' ' ' ILE . 2.3 mt-30 -47.68 -60.8 2.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 110.339 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.638 ' CE1' ' CG1' ' A' ' 66' ' ' VAL . 18.7 m170 -43.06 -31.72 0.58 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.613 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.502 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 3.0 tt0 -63.63 -48.77 75.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' A' ' 70' ' ' GLN . 5.9 mt -60.68 -66.38 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.25 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -57.85 -22.52 48.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.634 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 71' ' ' HIS . 2.8 mtp180 63.39 42.26 6.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.553 ' O ' ' CD2' ' A' ' 71' ' ' HIS . 17.2 p -137.56 143.42 41.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.959 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.9 p -118.88 174.97 5.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.08 . . . . 0.0 108.328 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.7 m -114.91 112.45 22.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.437 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 99.3 t -89.89 110.62 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -112.71 114.2 26.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.567 HG12 ' CD1' ' A' ' 63' ' ' PHE . 27.5 mt -75.72 149.65 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 62' ' ' PRO . 13.8 mmt -113.54 -21.16 10.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -106.73 151.89 24.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 111.02 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 67.0 -172.96 28.73 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.456 1.098 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.468 ' CG2' ' HD2' ' A' ' 86' ' ' PRO . 2.5 m -38.77 146.51 0.31 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.489 0.758 . . . . 0.0 110.366 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.468 ' HD2' ' CG2' ' A' ' 85' ' ' THR . 18.3 Cg_endo -75.05 92.6 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.486 1.782 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -108.17 114.74 28.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -112.01 105.25 13.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.584 ' CE1' ' CD1' ' A' ' 100' ' ' LEU . 59.5 m-70 -88.95 111.34 21.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.591 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.1 mtm105 -102.92 132.04 49.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.28 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 58.87 94.46 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.407 1.067 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.466 ' CE ' ' HB3' ' A' ' 96' ' ' ASP . 12.6 mmm -141.49 134.9 14.47 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 140.05 25.1 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.473 1.775 . . . . 0.0 111.027 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -38.16 -62.96 0.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -39.9 -55.06 2.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.466 ' HB3' ' CE ' ' A' ' 92' ' ' MET . 0.2 OUTLIER -57.78 -59.03 5.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 109.274 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -45.48 -46.23 13.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.256 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.437 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 34.9 mmt -59.2 -31.26 68.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 111.037 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 96' ' ' ASP . 0.4 OUTLIER -82.5 -44.16 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.421 1.075 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.584 ' CD1' ' CE1' ' A' ' 89' ' ' HIS . 0.0 OUTLIER -64.35 -27.83 69.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.465 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.6 OUTLIER -87.71 -47.53 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.267 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.465 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -63.28 -33.08 74.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.438 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 6.8 mmm180 -75.16 -62.02 1.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -50.57 -55.95 13.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.418 ' HB2' ' CE ' ' A' ' 36' ' ' MET . 21.9 t80 -38.72 -56.57 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -43.75 -55.55 4.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.3 t . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.6 -45.94 27.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.0 t -148.97 108.19 3.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 108.292 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.49 126.71 36.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.0 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 90.4 t -87.49 129.0 39.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.426 ' CG2' HD22 ' A' ' 49' ' ' LEU . 2.8 mm -106.18 107.62 23.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -120.42 104.26 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.418 ' CG1' HD13 ' A' ' 43' ' ' LEU . 35.6 m -80.68 -31.07 12.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -79.64 135.49 36.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -92.44 21.02 5.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.82 -35.82 5.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.339 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.3 p -83.66 51.59 2.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.432 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.518 ' HE3' ' CZ ' ' A' ' 42' ' ' PHE . 11.3 tttt -84.34 -47.36 10.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -70.47 -22.73 62.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -86.37 -60.81 1.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.97 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.68 -43.03 57.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.483 ' CG ' HD22 ' A' ' 40' ' ' LEU . 33.2 mt-10 -59.14 -15.8 16.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 29' ' ' ARG . 5.8 t -84.86 -69.58 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.013 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 26' ' ' SER . 0.3 OUTLIER -40.33 -31.14 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.424 ' N ' ' C ' ' A' ' 26' ' ' SER . . . -74.01 -47.98 17.25 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 26' ' ' SER . 0.7 OUTLIER -65.87 -26.75 67.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.6 0.824 . . . . 0.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.0 mmtt -64.77 -39.73 94.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.452 ' HB ' ' CG2' ' A' ' 38' ' ' VAL . 71.9 t -72.75 -28.81 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -72.5 -31.93 65.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -60.24 -18.13 46.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -90.73 -11.54 39.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.79 23.8 14.77 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.529 1.143 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.409 ' SD ' ' CG ' ' A' ' 105' ' ' TYR . 93.8 mtp -106.96 134.5 50.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 0.784 . . . . 0.0 111.03 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 51.2 t -67.07 122.12 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.452 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 60.2 t -130.77 150.33 34.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -139.6 168.21 20.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.483 HD22 ' CG ' ' A' ' 25' ' ' GLU . 1.2 mp -119.99 128.32 53.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.6 mt -112.58 105.81 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.518 ' CZ ' ' HE3' ' A' ' 21' ' ' LYS . 46.4 m-85 -92.66 126.94 37.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.418 HD13 ' CG1' ' A' ' 16' ' ' VAL . 2.9 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.1 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.426 HD22 ' CG2' ' A' ' 14' ' ' ILE . 0.6 OUTLIER -56.49 -61.67 2.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.4 p -43.0 -50.87 5.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -42.83 -32.93 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.497 ' O ' ' CG2' ' A' ' 56' ' ' VAL . . . -87.36 -42.17 13.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 48.3 mt -57.47 -32.73 67.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -66.5 -54.37 24.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 110.304 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.448 ' HA ' ' CD ' ' A' ' 58' ' ' ARG . 25.6 t0 -64.32 -27.16 68.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 109.286 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 52' ' ' ALA . 46.6 t -59.5 -65.24 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -61.6 2.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.072 . . . . 0.0 109.996 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.448 ' CD ' ' HA ' ' A' ' 55' ' ' ASP . 3.8 ptm180 -49.59 -36.59 24.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 55' ' ' ASP . . . -67.82 -24.85 74.28 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 115.48 -23.01 11.47 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.418 ' CB ' HG13 ' A' ' 56' ' ' VAL . 5.7 m -42.32 112.61 1.12 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.776 . . . . 0.0 110.036 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.422 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.3 Cg_endo -74.98 -44.21 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.48 1.779 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.562 ' CD1' HG12 ' A' ' 81' ' ' ILE . 10.7 m-30 -113.63 144.71 42.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -138.46 123.11 18.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.245 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.6 mt -94.91 141.15 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.463 ' CG1' ' HB ' ' A' ' 78' ' ' THR . 0.5 OUTLIER -104.41 126.95 59.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 6.3 mm -121.94 125.47 73.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 68.1 p -135.27 -161.13 1.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 110.434 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -79.23 -65.09 1.04 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.419 ' C ' ' N ' ' A' ' 72' ' ' GLN . 2.9 tp60 -53.03 -47.51 68.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.453 ' O ' ' N ' ' A' ' 75' ' ' ARG . 8.9 m170 -44.3 -26.87 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.59 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.419 ' N ' ' C ' ' A' ' 70' ' ' GLN . 2.0 tt0 -72.09 -54.62 9.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.0 mt -57.5 -38.34 62.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -85.13 -17.31 37.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.586 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 71' ' ' HIS . 3.7 mtp180 58.98 31.57 21.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.244 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.446 ' O ' ' CD2' ' A' ' 71' ' ' HIS . 1.1 p -123.21 147.14 47.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.952 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.4 p -122.9 175.51 6.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 108.292 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.463 ' HB ' ' CG1' ' A' ' 66' ' ' VAL . 53.1 m -116.51 117.84 31.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.417 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.451 ' CG1' HD22 ' A' ' 100' ' ' LEU . 57.3 t -89.76 121.96 40.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -124.84 102.67 7.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.341 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.562 HG12 ' CD1' ' A' ' 63' ' ' PHE . 25.5 mt -72.41 146.55 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.473 ' HE2' ' CG1' ' A' ' 56' ' ' VAL . 9.3 mmt -110.03 -26.68 9.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.503 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -104.86 151.84 23.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.54 -156.66 51.19 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.424 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 1.4 m -62.15 144.52 94.39 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.767 . . . . 0.0 110.363 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 85' ' ' THR . 18.3 Cg_endo -75.02 110.37 3.1 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 110.994 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -126.87 108.87 11.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.343 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -104.15 106.95 17.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.329 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.419 ' CD2' HD12 ' A' ' 100' ' ' LEU . 95.2 m-70 -97.06 110.04 22.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.608 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -91.72 132.96 36.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 110.349 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 54.88 92.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 17.0 mtp -125.96 136.61 28.71 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 140.32 25.3 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.485 1.781 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -38.27 -67.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.267 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -38.67 -69.39 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.127 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 99' ' ' VAL . 0.7 OUTLIER -43.97 -56.38 3.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 109.327 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -47.79 -45.55 29.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 34.2 mmt -66.68 -24.98 66.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 111.042 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.459 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.4 OUTLIER -84.22 -47.25 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.451 HD22 ' CG1' ' A' ' 79' ' ' VAL . 0.1 OUTLIER -60.64 -29.76 69.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.488 ' O ' ' CB ' ' A' ' 105' ' ' TYR . 0.8 OUTLIER -84.85 -48.69 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.478 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -62.57 -26.69 68.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.459 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 3.1 mmm180 -82.58 -59.44 2.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -55.37 -52.6 62.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.357 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.488 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 18.0 t80 -41.34 -50.14 3.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -49.1 -57.92 5.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.336 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.256 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 84.1 t . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.02 -41.77 1.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.422 ' SG ' ' CD1' ' A' ' 65' ' ' ILE . 19.7 t -147.84 106.64 3.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 108.324 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.67 129.37 38.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.987 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.46 ' CG1' HG13 ' A' ' 67' ' ' ILE . 43.0 t -87.39 132.83 31.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.465 ' CG2' HD22 ' A' ' 49' ' ' LEU . 2.8 mm -112.7 113.5 44.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 17' ' ' ASN . 0.4 OUTLIER -126.16 100.98 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.2 m -77.5 -15.72 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.471 ' O ' ' CG2' ' A' ' 15' ' ' VAL . 33.3 m120 -92.76 152.91 19.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -104.46 6.3 34.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.7 tm0? -97.39 -39.38 9.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.1 p -84.97 54.35 3.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 110.399 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.412 ' HE3' ' CZ ' ' A' ' 42' ' ' PHE . 7.1 tttt -81.8 -50.55 9.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -70.53 -45.03 66.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -56.98 -57.24 13.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.78 -36.32 71.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.509 ' CG ' ' CD2' ' A' ' 40' ' ' LEU . 2.3 mt-10 -66.08 -9.73 33.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.346 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 29' ' ' ARG . 5.2 t -90.94 -71.06 0.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.007 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -41.52 -30.11 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.409 ' N ' ' C ' ' A' ' 26' ' ' SER . . . -74.5 -46.66 18.7 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 111.055 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 26' ' ' SER . 16.5 ptt180 -66.25 -36.94 84.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 0.776 . . . . 0.0 110.299 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.417 ' N ' ' CG ' ' A' ' 29' ' ' ARG . 11.6 mmtt -54.1 -34.81 61.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.457 ' HB ' ' CG2' ' A' ' 38' ' ' VAL . 91.8 t -75.02 -26.49 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -74.69 -31.52 61.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -61.13 -18.79 59.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -88.98 -11.85 43.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.078 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.12 21.16 21.29 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.531 1.144 . . . . 0.0 110.952 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 96.0 mtp -104.89 134.98 47.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 110.959 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.7 t -65.55 121.57 14.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.457 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 34.9 t -128.62 153.29 37.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -146.8 167.6 23.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.509 ' CD2' ' CG ' ' A' ' 25' ' ' GLU . 1.3 mp -119.47 128.46 54.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.7 mt -114.78 105.19 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.412 ' CZ ' ' HE3' ' A' ' 21' ' ' LYS . 50.7 m-85 -89.52 130.16 35.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.465 HD22 ' CG2' ' A' ' 14' ' ' ILE . 0.8 OUTLIER -50.87 -59.83 3.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.98 -51.25 7.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.31 -34.18 1.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.295 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.48 -40.03 16.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.8 mt -58.85 -42.92 90.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -61.39 -28.63 69.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.455 ' HA ' ' CD ' ' A' ' 58' ' ' ARG . 10.6 t0 -83.58 -26.9 29.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.458 HG11 ' CB ' ' A' ' 61' ' ' SER . 40.8 t -62.31 -44.06 98.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.32 -59.21 2.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.038 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.455 ' CD ' ' HA ' ' A' ' 55' ' ' ASP . 6.3 ptm180 -55.42 -33.86 63.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.264 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.411 ' N ' ' HG2' ' A' ' 58' ' ' ARG . . . -70.4 -32.12 68.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.545 1.153 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 123.68 -32.04 4.39 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.458 ' CB ' HG11 ' A' ' 56' ' ' VAL . 1.0 OUTLIER -39.15 115.9 0.99 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.458 0.74 . . . . 0.0 110.013 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.442 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.3 Cg_endo -74.99 -44.43 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.462 1.77 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.558 ' CE1' HG12 ' A' ' 81' ' ' ILE . 9.5 m-30 -113.08 153.1 28.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 111.027 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -143.23 126.57 16.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.466 ' CG2' HD13 ' A' ' 67' ' ' ILE . 4.7 mt -95.26 136.73 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.465 ' CG1' ' HB ' ' A' ' 78' ' ' THR . 0.4 OUTLIER -100.24 126.1 53.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.358 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.466 HD13 ' CG2' ' A' ' 65' ' ' ILE . 6.0 mm -122.74 121.96 64.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 69.2 p -129.99 -152.18 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.387 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -88.61 -64.18 1.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.271 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.418 ' O ' ' N ' ' A' ' 73' ' ' ILE . 5.4 mt-30 -54.21 -43.63 70.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.489 ' CD2' ' O ' ' A' ' 76' ' ' SER . 11.0 m170 -47.04 -26.52 1.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.647 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -74.86 -40.34 61.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.342 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' A' ' 70' ' ' GLN . 12.0 mt -66.53 -42.52 90.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -86.49 -14.91 41.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.571 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 71' ' ' HIS . 1.9 mtp180 58.6 36.63 25.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.357 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.489 ' O ' ' CD2' ' A' ' 71' ' ' HIS . 4.2 p -125.82 144.18 50.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.955 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 2.3 p -119.79 174.77 6.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 108.248 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.465 ' HB ' ' CG1' ' A' ' 66' ' ' VAL . 25.2 m -116.23 116.53 27.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 110.42 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 59.0 t -90.04 118.26 34.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -118.32 109.98 16.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.558 HG12 ' CE1' ' A' ' 63' ' ' PHE . 29.4 mt -76.42 144.13 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 62' ' ' PRO . 3.6 mmt -111.48 -28.11 8.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.516 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -96.64 157.45 15.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.095 . . . . 0.0 110.976 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 59.05 -168.48 6.5 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.536 1.147 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.468 ' CG2' ' HD2' ' A' ' 86' ' ' PRO . 2.7 m -41.06 146.35 0.5 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.51 0.771 . . . . 0.0 110.438 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.468 ' HD2' ' CG2' ' A' ' 85' ' ' THR . 18.2 Cg_endo -75.0 91.61 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.507 1.793 . . . . 0.0 110.997 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -107.96 110.78 22.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -114.1 109.4 18.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 37.8 m-70 -91.65 132.61 36.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.592 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.4 mtm-85 -116.18 124.99 51.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.9 t30 62.42 95.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.474 ' CE ' ' HB3' ' A' ' 96' ' ' ASP . 15.9 mmm -136.48 137.37 23.92 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 111.027 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 142.46 27.99 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.496 1.787 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -37.9 -70.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 110.333 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -37.31 -59.91 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.474 ' HB3' ' CE ' ' A' ' 92' ' ' MET . 0.5 OUTLIER -49.3 -58.64 4.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -48.51 -46.1 38.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.411 ' SD ' ' O ' ' A' ' 94' ' ' GLN . 0.0 OUTLIER -60.91 -26.52 67.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -86.83 -45.37 16.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -27.68 69.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.502 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.7 OUTLIER -85.33 -49.44 15.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.502 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -62.96 -34.72 78.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 -70.91 -67.27 0.52 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.12 . . . . 0.0 110.347 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -45.16 -54.08 7.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -43.37 -57.71 2.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -41.34 -58.83 1.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 110.332 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.8 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.09 -47.69 11.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.1 t -137.45 129.14 28.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 108.299 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.4 m -112.56 121.47 44.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.973 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.9 t -86.9 119.56 34.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.442 HG21 ' CD2' ' A' ' 49' ' ' LEU . 1.4 mm -103.48 105.25 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -112.57 97.21 5.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.478 ' CG2' ' O ' ' A' ' 16' ' ' VAL . 10.7 m -76.74 68.86 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.345 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 167.55 169.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -116.53 24.22 11.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.14 -53.3 2.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 p -77.98 57.76 1.82 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 0.0 110.344 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.555 ' HE3' ' CZ ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -83.74 -55.29 4.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -61.67 -50.68 71.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -55.8 -59.83 4.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 111.013 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.09 -41.09 64.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.123 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.513 ' CG ' ' CD2' ' A' ' 40' ' ' LEU . 5.8 mt-10 -63.24 -11.77 23.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 29' ' ' ARG . 4.4 t -88.14 -70.61 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -40.79 -31.69 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.415 ' N ' ' C ' ' A' ' 26' ' ' SER . . . -73.91 -47.64 18.85 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.434 1.084 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 26' ' ' SER . 16.8 ptt85 -66.3 -26.18 67.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.771 . . . . 0.0 110.272 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -65.91 -41.84 90.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.45 ' HB ' ' CG2' ' A' ' 38' ' ' VAL . 95.4 t -68.81 -25.85 31.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.56 -32.48 62.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.346 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -62.69 -16.21 56.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.426 ' CD1' ' HA ' ' A' ' 31' ' ' VAL . 1.0 OUTLIER -91.35 -11.52 37.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.91 29.78 8.37 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.114 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 93.2 mtp -115.75 134.98 54.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 26.1 t -65.56 121.58 14.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.45 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 31.1 t -128.23 149.01 32.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -140.2 168.01 20.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.513 ' CD2' ' CG ' ' A' ' 25' ' ' GLU . 0.9 OUTLIER -121.94 128.03 51.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.252 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 23.7 mt -115.32 110.06 30.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.555 ' CZ ' ' HE3' ' A' ' 21' ' ' LYS . 55.6 m-85 -94.79 117.77 30.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.8 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.1 t . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.442 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.6 OUTLIER -50.46 -61.45 2.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.336 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.7 p -41.27 -53.34 3.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 110.023 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -42.01 -36.55 1.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.278 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.431 ' O ' ' CG2' ' A' ' 56' ' ' VAL . . . -81.92 -42.21 19.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 56.6 mt -58.59 -38.95 79.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -62.82 -46.75 86.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.302 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -68.35 -29.25 67.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.465 ' CG1' ' HB2' ' A' ' 61' ' ' SER . 55.4 t -61.77 -54.42 34.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -62.98 1.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.017 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.76 -34.83 41.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -70.26 -31.41 68.89 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 122.25 -28.48 5.79 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.465 ' HB2' ' CG1' ' A' ' 56' ' ' VAL . 32.6 m -40.58 107.17 0.45 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.774 . . . . 0.0 110.012 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.412 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.3 Cg_endo -74.99 -35.33 3.2 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.469 1.773 . . . . 0.0 110.966 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.507 ' CE1' HG12 ' A' ' 81' ' ' ILE . 16.7 m-30 -114.36 145.35 41.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.95 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.96 124.03 15.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.403 ' CG2' HD12 ' A' ' 67' ' ' ILE . 10.0 mt -97.03 140.06 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.079 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.511 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 0.7 OUTLIER -105.19 137.56 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.24 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.403 HD12 ' CG2' ' A' ' 65' ' ' ILE . 4.0 mm -128.01 153.26 37.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.085 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.474 HG21 ' CG ' ' A' ' 71' ' ' HIS . 2.0 t -173.82 159.39 3.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 110.397 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -39.17 -65.43 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 73' ' ' ILE . 0.0 OUTLIER -49.96 -59.21 4.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.242 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.532 ' CD2' ' O ' ' A' ' 76' ' ' SER . 13.2 m170 -40.35 -33.26 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 109.577 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -66.42 -50.29 63.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 70' ' ' GLN . 14.0 mt -57.99 -60.17 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -67.44 -10.25 49.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.594 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.4 mpp_? 54.13 38.74 29.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 0.0 110.344 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.532 ' O ' ' CD2' ' A' ' 71' ' ' HIS . 0.9 OUTLIER -130.51 145.62 51.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.023 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.5 p -122.94 175.48 6.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 108.351 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.466 ' HB ' ' CG1' ' A' ' 66' ' ' VAL . 15.9 m -115.56 115.56 26.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.417 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 58.4 t -90.44 128.19 42.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 -127.84 110.64 12.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.507 HG12 ' CE1' ' A' ' 63' ' ' PHE . 42.3 mt -78.13 144.27 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.412 ' N ' ' O ' ' A' ' 62' ' ' PRO . 11.1 mmt -106.75 -27.67 10.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.48 ' O ' ' CG2' ' A' ' 81' ' ' ILE . 0.3 OUTLIER -102.2 150.95 22.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 71.86 -171.4 47.87 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.462 1.101 . . . . 0.0 111.042 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.472 ' CG2' ' HD2' ' A' ' 86' ' ' PRO . 2.7 m -45.29 146.43 1.59 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.77 . . . . 0.0 110.404 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 85' ' ' THR . 18.3 Cg_endo -74.97 100.1 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.52 1.8 . . . . 0.0 111.028 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -115.95 118.91 34.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -113.06 109.6 19.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.559 ' CD2' HD13 ' A' ' 100' ' ' LEU . 67.6 m-70 -91.93 117.66 30.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.569 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -107.3 126.7 52.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 47.8 t30 61.65 97.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 11.4 mmm -141.41 135.21 14.76 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 141.05 26.18 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.51 1.795 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -40.13 -66.94 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -37.61 -52.48 1.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 99' ' ' VAL . 0.3 OUTLIER -60.87 -56.76 17.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.286 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -47.24 -39.15 13.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 31.1 mmt -66.98 -31.36 71.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 111.004 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 96' ' ' ASP . 0.4 OUTLIER -82.12 -40.82 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.559 HD13 ' CD2' ' A' ' 89' ' ' HIS . 0.1 OUTLIER -65.47 -29.38 70.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.486 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.6 OUTLIER -86.53 -49.04 15.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.486 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -60.51 -33.96 73.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 6.0 mmm180 -74.81 -68.48 0.54 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -44.63 -55.26 5.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.447 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 13.3 t80 -39.97 -56.87 1.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -43.84 -55.12 4.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.16 . . . . 0.0 110.328 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.3 t . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.419 ' HB2' ' N ' ' A' ' 37' ' ' VAL . 1.1 m-20 -96.94 -37.4 10.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -149.13 97.35 2.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 108.331 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.18 128.84 33.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.011 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.4 t -92.33 114.62 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.412 HG22 ' CD2' ' A' ' 49' ' ' LEU . 4.7 mm -89.96 110.15 21.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -123.52 103.79 13.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.428 ' CG1' HD13 ' A' ' 43' ' ' LEU . 6.1 m -79.8 -38.16 18.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -67.37 146.91 53.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.5 mmmt -101.25 5.24 42.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.24 -29.52 11.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 110.321 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.0 p -88.0 61.34 6.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.143 . . . . 0.0 110.372 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.575 ' HE3' ' CZ ' ' A' ' 42' ' ' PHE . 11.1 ttmt -86.54 -60.47 1.99 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -61.84 -53.56 54.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.552 ' CE2' ' HA ' ' A' ' 72' ' ' GLN . 2.9 t80 -47.35 -45.88 25.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 111.015 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.89 -38.34 64.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.28 -18.08 5.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 29' ' ' ARG . 5.8 t -87.71 -68.08 0.78 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 109.997 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 26' ' ' SER . 0.3 OUTLIER -39.67 -33.0 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.46 ' CA ' HG12 ' A' ' 38' ' ' VAL . . . -74.17 -48.75 14.24 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 26' ' ' SER . 4.0 ptp180 -66.92 -27.66 67.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 0.791 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -63.01 -41.04 99.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.456 HG12 ' CG2' ' A' ' 38' ' ' VAL . 75.6 t -70.57 -25.6 27.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -75.07 -32.0 61.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.313 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -60.57 -19.1 56.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.86 -11.33 42.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.96 29.2 8.73 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 94.7 mtp -114.72 131.74 56.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 0.764 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.419 ' N ' ' HB2' ' A' ' 10' ' ' ASP . 40.2 t -65.52 122.66 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.46 HG12 ' CA ' ' A' ' 28' ' ' GLY . 39.9 t -127.69 146.92 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -133.85 168.33 18.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.17 123.43 40.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 31.1 mt -107.99 104.74 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.575 ' CZ ' ' HE3' ' A' ' 21' ' ' LYS . 41.1 m-85 -90.62 114.37 26.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 110.978 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.428 HD13 ' CG1' ' A' ' 16' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.2 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.438 ' CD2' ' C ' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -56.37 -59.96 4.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 53' ' ' LEU . 81.7 p -47.08 -51.72 17.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.039 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -47.5 -34.23 7.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 110.277 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.467 ' O ' ' CG2' ' A' ' 56' ' ' VAL . . . -76.54 -34.25 58.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 50' ' ' SER . 29.5 mt -64.53 -54.15 36.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.268 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -56.22 -25.84 48.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.426 ' HA ' ' CD ' ' A' ' 58' ' ' ARG . 7.0 t70 -86.43 -25.32 25.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.467 ' CG2' ' O ' ' A' ' 52' ' ' ALA . 54.9 t -66.04 -61.67 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.8 t -52.5 -61.42 2.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.013 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.426 ' CD ' ' HA ' ' A' ' 55' ' ' ASP . 3.3 ptm180 -49.5 -33.86 15.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.96 -32.27 83.67 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 61' ' ' SER . . . 130.69 -46.49 1.07 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 60' ' ' GLY . 0.2 OUTLIER -36.96 117.15 0.74 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.463 0.743 . . . . 0.0 110.001 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -38.22 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.47 1.774 . . . . 0.0 110.96 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.565 ' CD1' HG12 ' A' ' 81' ' ' ILE . 17.2 m-30 -113.24 149.57 33.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.42 131.14 18.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.416 HG22 ' N ' ' A' ' 66' ' ' VAL . 4.9 mt -94.97 150.92 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.472 ' CG1' ' HB ' ' A' ' 78' ' ' THR . 0.5 OUTLIER -115.04 123.94 71.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.6 mm -125.09 122.74 63.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 64.2 p -130.77 -149.77 0.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.408 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.04 -63.13 1.34 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 73' ' ' ILE . 10.8 mt-30 -51.84 -45.11 63.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 76' ' ' SER . 12.1 m170 -48.63 -31.06 6.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.582 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.552 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 6.8 tt0 -67.8 -35.24 78.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.416 ' N ' ' O ' ' A' ' 70' ' ' GLN . 10.7 mt -70.02 -65.28 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -65.16 -18.34 65.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.565 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 71' ' ' HIS . 0.8 OUTLIER 62.55 49.33 4.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 110.314 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.59 ' O ' ' CD2' ' A' ' 71' ' ' HIS . 1.4 m -137.17 147.86 46.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.046 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 2.1 p -121.31 175.51 6.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 108.285 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.472 ' HB ' ' CG1' ' A' ' 66' ' ' VAL . 36.5 m -118.29 121.71 41.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.393 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.456 ' CG1' HD22 ' A' ' 100' ' ' LEU . 97.7 t -89.91 111.52 23.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -110.16 119.7 40.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.565 HG12 ' CD1' ' A' ' 63' ' ' PHE . 32.1 mt -89.12 144.57 8.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.158 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.4 mmt -111.02 -28.43 8.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.965 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.567 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -91.73 152.61 20.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 58.79 -168.84 5.9 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.479 ' CG2' ' HD2' ' A' ' 86' ' ' PRO . 2.4 m -38.5 146.58 0.3 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.539 0.787 . . . . 0.0 110.367 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.479 ' HD2' ' CG2' ' A' ' 85' ' ' THR . 18.4 Cg_endo -74.96 88.3 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.477 1.777 . . . . 0.0 111.021 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -107.89 116.52 32.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -125.91 98.81 5.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.564 ' CD2' HD12 ' A' ' 100' ' ' LEU . 39.4 m-70 -74.86 126.0 30.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.576 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.8 mtp85 -113.99 134.79 54.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 72.28 70.59 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.447 ' CE ' ' HB3' ' A' ' 96' ' ' ASP . 21.8 mmm -131.72 128.96 21.88 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 170.56 20.16 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.529 1.805 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -56.65 -66.15 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -37.79 -70.59 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.447 ' HB3' ' CE ' ' A' ' 92' ' ' MET . 0.2 OUTLIER -45.73 -57.92 3.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -45.21 -51.6 10.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 27.5 mmt -57.72 -27.72 63.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 111.047 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.494 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.5 OUTLIER -84.21 -47.31 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.564 HD12 ' CD2' ' A' ' 89' ' ' HIS . 0.1 OUTLIER -61.58 -28.39 69.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.465 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.8 OUTLIER -85.49 -47.37 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.465 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -62.53 -41.44 98.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 0.2 OUTLIER -65.67 -71.24 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -40.68 -60.49 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.255 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -38.08 -60.68 0.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -40.71 -47.3 2.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.373 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 10' ' ' ASP . 40.4 t . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 9' ' ' VAL . 0.4 OUTLIER -39.79 -46.89 2.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.3 t -148.74 114.88 5.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 108.268 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.67 132.0 43.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.966 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.452 ' CG1' HG13 ' A' ' 67' ' ' ILE . 93.9 t -90.58 120.86 40.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 mm -102.46 107.57 22.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -116.25 97.88 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 30.0 m -72.3 -45.2 61.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -56.01 159.97 3.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.351 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.41 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 0.3 OUTLIER -114.05 40.14 2.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.17 -46.07 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 p -70.27 59.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.403 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -86.66 -57.47 2.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.94 -55.7 26.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -49.63 -56.11 11.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.65 -42.09 78.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.502 ' CG ' ' CD2' ' A' ' 40' ' ' LEU . 1.5 mt-10 -62.57 -11.95 19.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 29' ' ' ARG . 4.8 t -86.89 -68.86 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.017 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.458 HG23 ' CG ' ' A' ' 94' ' ' GLN . 0.3 OUTLIER -43.74 -31.28 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.28 -42.46 42.41 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 26' ' ' SER . 9.8 ptt180 -72.55 -24.45 61.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 0.73 . . . . 0.0 110.284 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -68.7 -40.6 79.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.496 ' CG1' ' CG2' ' A' ' 38' ' ' VAL . 63.9 t -65.82 -27.0 40.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.5 mtt-85 -74.52 -32.96 62.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 110.246 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -60.36 -17.93 46.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.592 1.182 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -90.89 -11.01 40.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.15 29.6 8.87 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.468 ' HG2' ' CE1' ' A' ' 105' ' ' TYR . 93.8 mtp -115.4 133.65 55.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.77 . . . . 0.0 111.004 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.3 t -65.81 121.37 14.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.496 ' CG2' ' CG1' ' A' ' 31' ' ' VAL . 60.1 t -131.55 150.19 33.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -142.37 168.33 20.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.502 ' CD2' ' CG ' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -117.87 126.96 53.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.117 . . . . 0.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.1 mt -113.2 107.47 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -94.65 121.16 35.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.1 mt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 53.8 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.484 ' CD2' ' C ' ' A' ' 49' ' ' LEU . 0.5 OUTLIER -69.97 -57.47 4.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.0 p -42.68 -43.4 3.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 110.007 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -48.42 -39.23 21.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . -72.8 -41.94 64.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 94.4 mt -59.83 -39.8 86.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -61.09 -30.98 70.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.28 -29.04 24.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.443 HG12 ' CB ' ' A' ' 61' ' ' SER . 75.9 t -62.32 -39.37 83.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -59.92 2.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.017 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.403 ' CG ' ' N ' ' A' ' 59' ' ' GLY . 0.2 OUTLIER -56.75 -36.49 69.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.403 ' N ' ' CG ' ' A' ' 58' ' ' ARG . . . -64.92 -32.22 83.5 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 122.83 -31.51 4.74 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.443 ' CB ' HG12 ' A' ' 56' ' ' VAL . 1.0 OUTLIER -39.41 110.63 0.63 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.51 0.771 . . . . 0.0 109.965 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.417 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.2 Cg_endo -74.99 -37.37 2.06 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.554 1.818 . . . . 0.0 111.005 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.462 ' CD1' HG12 ' A' ' 81' ' ' ILE . 11.4 m-30 -114.28 151.17 33.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.65 119.28 9.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.411 ' CG2' HD13 ' A' ' 67' ' ' ILE . 9.3 mt -94.93 131.65 41.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.472 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 0.6 OUTLIER -99.17 135.24 35.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.452 HG13 ' CG1' ' A' ' 13' ' ' VAL . 3.7 mm -128.62 154.84 40.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.441 HG23 ' ND1' ' A' ' 71' ' ' HIS . 1.6 t -174.92 159.56 2.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.378 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.426 ' O ' ' CB ' ' A' ' 72' ' ' GLN . 0.0 OUTLIER -38.99 -65.31 0.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.14 -57.46 5.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' A' ' 76' ' ' SER . 15.0 m170 -43.29 -29.62 0.43 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 109.602 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.426 ' CB ' ' O ' ' A' ' 69' ' ' GLN . 8.2 tt0 -66.36 -49.59 66.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.336 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 12.4 mt -60.35 -58.08 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -69.82 -9.83 56.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.622 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 71' ' ' HIS . 2.9 mtp180 50.47 41.37 25.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.581 ' O ' ' CD2' ' A' ' 71' ' ' HIS . 34.5 p -132.41 145.24 51.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.978 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.6 p -122.65 175.49 6.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 108.287 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 55.3 m -115.06 113.05 23.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.379 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.9 t -90.2 119.63 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -122.62 114.09 20.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.462 HG12 ' CD1' ' A' ' 63' ' ' PHE . 36.2 mt -78.46 148.81 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.417 ' N ' ' O ' ' A' ' 62' ' ' PRO . 7.5 mmt -114.39 -21.34 10.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -103.4 150.06 24.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.5 -161.39 50.86 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.463 1.102 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.477 ' CG2' ' HD2' ' A' ' 86' ' ' PRO . 2.5 m -51.02 146.58 10.38 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.518 0.775 . . . . 0.0 110.428 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 85' ' ' THR . 18.2 Cg_endo -75.01 95.37 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.489 1.783 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -110.61 114.78 28.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.312 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -113.49 109.81 19.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.29 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.491 ' CD2' HD12 ' A' ' 100' ' ' LEU . 58.8 m-70 -93.39 115.65 28.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.606 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 61.7 mtt180 -102.92 126.45 50.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 62.1 98.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.423 ' CE ' ' HB3' ' A' ' 96' ' ' ASP . 10.3 mmm -142.33 137.46 15.62 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 94' ' ' GLN . 18.1 Cg_endo -75.03 138.38 22.88 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.452 1.764 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.458 ' CG ' HG23 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -37.92 -62.44 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -39.39 -60.58 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.423 ' HB3' ' CE ' ' A' ' 92' ' ' MET . 0.9 OUTLIER -52.87 -58.03 8.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -46.26 -48.86 17.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.433 ' HE2' ' CG2' ' A' ' 31' ' ' VAL . 34.9 mmt -57.87 -26.89 62.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' A' ' 96' ' ' ASP . 0.4 OUTLIER -86.89 -45.65 16.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.491 HD12 ' CD2' ' A' ' 89' ' ' HIS . 0.0 OUTLIER -61.48 -27.74 68.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.502 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.7 OUTLIER -85.3 -49.48 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.502 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -62.32 -33.8 75.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.419 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 2.2 mmm180 -73.32 -66.58 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -46.67 -48.05 20.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.468 ' CE1' ' HG2' ' A' ' 36' ' ' MET . 34.5 t80 -50.09 -54.83 17.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -43.63 -52.61 6.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.414 HG12 ' CA ' ' A' ' 12' ' ' SER . 87.1 t . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.64 -44.16 2.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.9 t -149.21 103.38 3.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 108.313 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.414 ' CA ' HG12 ' A' ' 9' ' ' VAL . 1.1 m -89.49 136.17 33.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.996 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.429 HG22 ' CG1' ' A' ' 38' ' ' VAL . 94.9 t -94.45 121.14 44.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 67' ' ' ILE . 3.7 mm -100.49 116.07 43.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -129.55 97.96 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.445 ' CG1' HD11 ' A' ' 43' ' ' LEU . 15.9 m -78.4 63.7 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.422 1.076 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.5 m120 168.62 178.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -114.72 -36.54 4.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -41.4 -44.96 2.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.5 p -93.94 60.1 2.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.376 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.11 -38.67 14.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -79.87 -57.82 3.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.571 ' CE2' ' HA ' ' A' ' 72' ' ' GLN . 2.2 t80 -44.85 -43.44 8.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.83 -34.96 64.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.77 -15.13 18.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 29' ' ' ARG . 5.7 t -89.54 -69.03 0.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.001 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 26' ' ' SER . 0.3 OUTLIER -39.56 -32.25 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.254 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.43 ' N ' ' C ' ' A' ' 26' ' ' SER . . . -76.95 -47.77 9.12 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 0.0 111.054 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 26' ' ' SER . 0.9 OUTLIER -67.86 -21.71 65.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 110.312 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -69.34 -36.66 77.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.349 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.449 ' HB ' ' CG2' ' A' ' 38' ' ' VAL . 75.8 t -74.54 -26.87 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.167 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.2 mtm180 -74.69 -31.98 62.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.155 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -61.45 -16.91 51.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.4 ' CD1' ' HA ' ' A' ' 31' ' ' VAL . 0.8 OUTLIER -91.68 -10.06 41.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.58 26.57 13.1 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 95.1 mtp -111.27 134.81 52.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.77 . . . . 0.0 110.981 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 49.0 t -65.71 127.01 26.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.449 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 96.7 t -136.44 150.35 27.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -140.18 167.94 20.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.72 124.32 48.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.4 mt -109.61 107.32 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.264 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -93.07 126.58 38.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.445 HD11 ' CG1' ' A' ' 16' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.416 HD22 ' CG2' ' A' ' 14' ' ' ILE . 0.7 OUTLIER -52.99 -59.08 4.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 53' ' ' LEU . 0.6 OUTLIER -44.61 -52.87 7.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.974 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -42.62 -33.91 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.582 1.176 . . . . 0.0 110.335 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.12 -42.08 19.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 50' ' ' SER . 62.7 mt -58.17 -52.88 63.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -48.96 -29.18 4.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -85.17 -35.27 21.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.093 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.428 ' CG1' ' HB3' ' A' ' 61' ' ' SER . 71.8 t -57.86 -47.0 87.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.06 -64.06 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.429 ' CG ' ' N ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -50.96 -38.07 48.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.274 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.429 ' N ' ' CG ' ' A' ' 58' ' ' ARG . . . -62.4 -31.66 80.23 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.461 1.101 . . . . 0.0 110.971 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.22 -23.17 9.97 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.428 ' HB3' ' CG1' ' A' ' 56' ' ' VAL . 0.4 OUTLIER -39.21 116.75 1.06 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.556 0.798 . . . . 0.0 110.01 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.4 Cg_endo -75.0 -46.52 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.419 1.747 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.416 ' N ' ' CD1' ' A' ' 63' ' ' PHE . 4.5 m-30 -116.25 150.44 37.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.86 128.22 19.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.108 . . . . 0.0 109.267 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.44 ' CG2' HD12 ' A' ' 67' ' ' ILE . 21.0 mt -96.48 137.47 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.538 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 0.5 OUTLIER -102.8 129.0 55.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 14' ' ' ILE . 4.1 mm -126.52 158.37 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.457 ' CG2' ' N ' ' A' ' 69' ' ' GLN . 9.7 t -172.88 -147.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 110.408 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.457 ' N ' ' CG2' ' A' ' 68' ' ' THR . 0.6 OUTLIER -86.39 -63.96 1.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 73' ' ' ILE . 1.2 tp60 -51.66 -56.63 12.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.578 ' CD2' ' O ' ' A' ' 76' ' ' SER . 18.9 m170 -41.35 -32.79 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.585 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.571 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 10.2 tt0 -64.47 -50.79 66.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.422 ' N ' ' O ' ' A' ' 70' ' ' GLN . 6.8 mt -62.34 -63.91 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -58.38 -19.3 34.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.608 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 60.87 37.92 18.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.257 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.578 ' O ' ' CD2' ' A' ' 71' ' ' HIS . 1.3 p -131.48 143.76 50.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.9 p -122.82 172.17 8.65 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 108.295 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.453 ' HB ' ' CG1' ' A' ' 66' ' ' VAL . 13.0 m -112.87 115.57 28.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 110.361 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 80.5 t -90.2 116.07 30.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -111.99 125.42 54.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.562 HG22 ' CE2' ' A' ' 83' ' ' PHE . 16.5 mt -89.38 146.3 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 62' ' ' PRO . 9.8 mmt -117.45 -30.82 5.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.562 ' CE2' HG22 ' A' ' 81' ' ' ILE . 4.9 p90 -67.07 -179.16 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.964 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.478 ' N ' ' CD1' ' A' ' 83' ' ' PHE . . . -38.53 159.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.135 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 34.0 m 57.59 112.45 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.773 . . . . 0.0 110.387 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 114.18 3.97 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.786 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -128.16 126.99 42.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.294 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -132.88 114.99 14.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 110.287 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.496 ' CD2' HD13 ' A' ' 100' ' ' LEU . 18.9 m-70 -106.16 125.59 51.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.574 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.1 mtp85 -108.69 124.67 50.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 26.4 t30 59.94 97.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 16.4 mmm -135.73 140.57 34.1 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.98 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 94' ' ' GLN . 18.3 Cg_endo -74.99 136.36 20.31 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.525 1.803 . . . . 0.0 110.96 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -38.25 -65.81 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 98' ' ' MET . . . -40.11 -71.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -46.16 -41.93 13.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.265 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.86 -41.35 77.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.338 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 95' ' ' ALA . 32.0 mmt -65.43 -24.76 67.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 111.038 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.415 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.4 OUTLIER -86.52 -46.07 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.411 1.07 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.496 HD13 ' CD2' ' A' ' 89' ' ' HIS . 0.1 OUTLIER -61.69 -28.18 69.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.484 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.8 OUTLIER -85.24 -48.22 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.484 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -62.4 -30.81 71.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.415 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 6.5 mmm180 -76.3 -67.0 0.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.259 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -43.01 -59.1 2.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -40.13 -61.99 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -39.6 -55.33 1.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.241 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.409 HG12 ' N ' ' A' ' 12' ' ' SER . 17.8 t . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -40.55 -51.81 2.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.287 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.7 t -140.0 104.32 4.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 108.302 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.409 ' N ' HG12 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -90.72 130.48 36.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.023 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.443 ' CG1' HG13 ' A' ' 67' ' ' ILE . 58.7 t -90.98 127.8 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.46 ' CG2' HD23 ' A' ' 49' ' ' LEU . 3.5 mm -106.99 114.76 46.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' A' ' 17' ' ' ASN . 0.8 OUTLIER -125.71 101.31 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 26.8 m -75.55 -27.97 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.493 ' O ' ' CG2' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -84.15 135.87 34.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -92.55 26.23 2.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.245 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -116.03 -39.67 3.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 110.329 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.7 p -83.25 57.39 3.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.433 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.469 ' HE3' ' CZ ' ' A' ' 42' ' ' PHE . 4.1 tttt -79.43 -56.24 4.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.38 -51.57 59.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.533 ' CE2' ' HA ' ' A' ' 72' ' ' GLN . 1.9 t80 -49.08 -44.13 41.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.05 -36.88 61.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.68 -16.17 9.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.597 1.186 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' ARG . 8.6 t -87.93 -68.43 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.016 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.466 HG12 ' CD1' ' A' ' 67' ' ' ILE . 0.3 OUTLIER -39.55 -33.63 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.462 ' CA ' HG12 ' A' ' 38' ' ' VAL . . . -74.38 -48.53 13.94 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.488 1.117 . . . . 0.0 110.941 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 26' ' ' SER . 3.0 ptt180 -67.09 -28.97 68.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 0.768 . . . . 0.0 110.303 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -61.08 -39.61 90.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.457 ' HB ' ' CG2' ' A' ' 38' ' ' VAL . 74.6 t -72.26 -26.89 25.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -74.02 -32.21 63.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.296 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -60.25 -17.3 40.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 mt -91.83 -10.92 38.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.37 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.74 25.76 12.83 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.126 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 97.0 mtp -109.49 135.72 50.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 0.766 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.9 t -65.74 121.98 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.462 HG12 ' CA ' ' A' ' 28' ' ' GLY . 36.6 t -129.07 148.7 33.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.44 174.84 10.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.64 121.57 27.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 34.9 mt -107.92 102.1 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.469 ' CZ ' ' HE3' ' A' ' 21' ' ' LYS . 45.8 m-85 -86.88 132.49 33.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.46 HD23 ' CG2' ' A' ' 14' ' ' ILE . 0.5 OUTLIER -43.75 -64.33 0.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -41.73 -50.77 4.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.022 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -42.08 -35.66 0.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . -83.22 -40.78 19.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.273 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 50' ' ' SER . 36.3 mt -59.46 -42.81 92.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -59.31 -33.5 71.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -81.89 -30.33 31.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.413 HG13 ' CB ' ' A' ' 61' ' ' SER . 64.7 t -60.38 -42.64 91.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.78 -61.3 1.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.435 ' CG ' ' N ' ' A' ' 59' ' ' GLY . 5.9 ptt180 -54.28 -37.81 65.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.435 ' N ' ' CG ' ' A' ' 58' ' ' ARG . . . -62.02 -32.0 80.67 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 61' ' ' SER . . . 117.94 -25.67 8.29 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.413 ' CB ' HG13 ' A' ' 56' ' ' VAL . 0.4 OUTLIER -38.85 116.41 0.97 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.462 0.742 . . . . 0.0 109.973 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.3 Cg_endo -75.04 -42.68 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.494 1.786 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.6 m-30 -117.04 146.98 42.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.408 ' HB1' ' CG1' ' A' ' 56' ' ' VAL . . . -141.58 122.87 14.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.42 ' CG2' HD13 ' A' ' 67' ' ' ILE . 19.8 mt -95.2 139.36 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.514 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 1.0 OUTLIER -103.99 127.55 58.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.466 ' CD1' HG12 ' A' ' 27' ' ' VAL . 5.0 mm -124.06 150.9 28.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.414 HG23 ' ND1' ' A' ' 71' ' ' HIS . 2.0 t -175.46 163.09 2.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.366 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.16 -54.83 18.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -55.9 -30.13 61.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.342 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.514 ' CE1' ' CG1' ' A' ' 66' ' ' VAL . 9.6 m170 -77.73 -17.9 57.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.62 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.533 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 8.5 tt0 -78.73 -30.98 46.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.323 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.9 mt -69.79 -50.85 45.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -79.12 -15.36 58.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.135 . . . . 0.0 109.601 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 61.88 32.01 18.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 82.5 p -129.26 149.96 50.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 110.012 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 1.8 p -123.57 173.79 7.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 108.3 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.8 m -111.02 120.73 43.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.094 . . . . 0.0 110.427 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.468 ' CG1' HD21 ' A' ' 100' ' ' LEU . 59.2 t -90.43 129.66 40.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -131.58 124.32 29.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.567 HG21 ' CE2' ' A' ' 83' ' ' PHE . 14.8 mt -91.44 148.24 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 62' ' ' PRO . 5.8 mmt -116.8 -29.24 6.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 111.051 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.567 ' CE2' HG21 ' A' ' 81' ' ' ILE . 2.5 p90 -70.85 178.44 3.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.48 ' N ' ' CD1' ' A' ' 83' ' ' PHE . . . -38.99 159.47 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.5 m 59.72 114.0 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.477 0.751 . . . . 0.0 110.377 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 129.43 12.33 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.487 1.782 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.45 ' HB2' ' CD1' ' A' ' 81' ' ' ILE . 3.6 mm100 -145.85 120.37 9.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -133.23 121.95 23.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.321 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.533 ' CD2' HD12 ' A' ' 100' ' ' LEU . 74.8 m-70 -118.22 122.5 43.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.612 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.7 mtm180 -94.02 137.99 32.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 41.36 85.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.487 ' SD ' ' CB ' ' A' ' 89' ' ' HIS . 5.7 mtp -112.86 142.91 28.06 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.416 ' HG2' ' CB ' ' A' ' 96' ' ' ASP . 18.4 Cg_endo -75.06 131.37 14.15 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.496 1.787 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -37.71 -63.77 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -41.34 -70.07 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.416 ' CB ' ' HG2' ' A' ' 93' ' ' PRO . 49.7 t0 -47.38 -44.21 24.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.88 -43.25 77.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 32.6 mmt -64.7 -24.56 67.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.489 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.4 OUTLIER -86.47 -45.34 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.533 HD12 ' CD2' ' A' ' 89' ' ' HIS . 0.1 OUTLIER -60.76 -29.61 69.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.468 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.8 OUTLIER -83.73 -47.38 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.468 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -64.09 -17.02 63.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.489 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 8.6 mmm180 -92.99 -63.14 1.25 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -49.62 -54.99 15.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -39.2 -52.94 1.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.956 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -48.82 -54.42 15.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.342 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.349 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 62.4 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -42.98 -45.97 5.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.1 t -149.03 108.64 4.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 108.331 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.0 135.22 36.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.037 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.435 ' CG1' HG13 ' A' ' 67' ' ' ILE . 75.8 t -92.91 125.67 45.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.471 ' CG2' HD21 ' A' ' 49' ' ' LEU . 1.8 mm -105.57 109.23 27.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.1 p -117.84 101.84 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.456 ' CG1' ' HG ' ' A' ' 49' ' ' LEU . 30.4 m -75.51 -37.33 37.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.412 ' N ' HG22 ' A' ' 16' ' ' VAL . 0.6 OUTLIER -73.55 126.12 29.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tptp -85.68 49.46 1.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -142.12 -49.66 0.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 p -69.72 60.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.433 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -81.96 -68.38 0.7 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -47.83 -55.62 9.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.513 ' CZ ' ' HA ' ' A' ' 72' ' ' GLN . 29.3 t80 -51.59 -62.04 1.87 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.18 -41.62 62.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.492 ' CG ' ' CD2' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -63.02 -11.64 20.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.353 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 29' ' ' ARG . 2.8 t -87.3 -68.47 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.004 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.462 HG21 ' CG ' ' A' ' 94' ' ' GLN . 0.3 OUTLIER -47.93 -28.91 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.419 ' CA ' HG23 ' A' ' 13' ' ' VAL . . . -75.22 -33.9 52.8 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.461 1.101 . . . . 0.0 111.03 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 26' ' ' SER . 12.3 ptt180 -81.87 -31.01 31.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 110.318 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -59.57 -31.54 69.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.469 ' HB ' ' CG2' ' A' ' 38' ' ' VAL . 94.3 t -76.04 -27.42 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -74.04 -31.99 63.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.267 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -60.56 -19.28 56.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.424 ' CD1' ' HA ' ' A' ' 31' ' ' VAL . 0.6 OUTLIER -89.1 -11.01 45.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.72 23.69 17.7 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.454 1.096 . . . . 0.0 111.001 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 96.3 mtp -107.33 133.3 52.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.757 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 19.7 t -65.68 117.47 6.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.469 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 61.3 t -129.72 148.14 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -140.4 167.91 21.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.492 ' CD2' ' CG ' ' A' ' 25' ' ' GLU . 0.8 OUTLIER -115.38 127.94 55.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.1 mt -113.84 108.81 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -93.32 132.7 37.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.9 mt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.975 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 63.0 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.471 HD21 ' CG2' ' A' ' 14' ' ' ILE . 0.9 OUTLIER -63.91 -58.93 5.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.274 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 53' ' ' LEU . 94.0 p -38.44 -54.2 1.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.997 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -39.77 -42.78 1.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.288 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . -77.35 -42.63 35.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 50' ' ' SER . 45.3 mt -57.95 -32.58 67.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -66.01 -47.38 74.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.443 ' OD1' ' NH1' ' A' ' 58' ' ' ARG . 5.7 t70 -70.36 -20.07 63.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.442 ' CG1' ' HB3' ' A' ' 61' ' ' SER . 70.0 t -71.14 -40.67 75.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -50.67 8.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.994 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.443 ' NH1' ' OD1' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -64.23 -36.54 84.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.416 ' N ' ' HG2' ' A' ' 58' ' ' ARG . . . -66.66 -29.53 74.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.562 1.164 . . . . 0.0 111.031 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.35 -19.95 11.45 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.442 ' HB3' ' CG1' ' A' ' 56' ' ' VAL . 0.1 OUTLIER -43.72 111.03 1.04 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.53 0.782 . . . . 0.0 109.978 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.427 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.3 Cg_endo -74.99 -37.5 2.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.536 1.808 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.456 ' CD1' HG12 ' A' ' 81' ' ' ILE . 9.9 m-30 -115.61 146.32 41.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -137.9 124.42 20.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.471 ' CG2' HD11 ' A' ' 67' ' ' ILE . 9.6 mt -101.52 133.89 43.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.699 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 0.8 OUTLIER -101.26 134.32 41.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.471 HD11 ' CG2' ' A' ' 65' ' ' ILE . 4.1 mm -127.82 153.82 37.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 178.42 175.04 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.389 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.08 -64.56 0.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -50.85 -65.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.316 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.699 ' CE1' ' CG1' ' A' ' 66' ' ' VAL . 38.4 m80 -39.2 -39.8 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.606 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.513 ' HA ' ' CZ ' ' A' ' 23' ' ' TYR . 4.1 tt0 -65.48 -51.83 57.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.339 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.4 mt -59.53 -52.95 54.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -73.05 -5.24 37.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.644 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.0 mmt-85 52.88 23.44 2.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 54.1 p -122.82 139.45 54.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 110.044 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 2.7 p -116.18 172.12 7.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 108.27 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 29.4 m -108.13 114.71 28.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 110.411 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 59.2 t -89.9 129.18 41.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 61.1 m-20 -133.7 113.39 12.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.456 HG12 ' CD1' ' A' ' 63' ' ' PHE . 19.6 mt -79.13 149.96 5.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.427 ' N ' ' O ' ' A' ' 62' ' ' PRO . 10.3 mmt -114.46 -24.14 8.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -101.5 153.72 19.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 110.999 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 50.72 -166.86 0.52 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 84' ' ' GLY . 40.3 m -38.27 118.42 0.99 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 110.403 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 102.86 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.481 1.78 . . . . 0.0 110.972 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.587 ' OE1' ' CE1' ' A' ' 89' ' ' HIS . 2.6 mm-40 -109.91 110.73 21.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.352 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -97.5 100.69 12.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.587 ' CE1' ' OE1' ' A' ' 87' ' ' GLN . 96.3 m-70 -91.83 114.72 27.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.582 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 29.8 mtt85 -93.79 138.39 32.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.331 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 48.39 88.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.422 ' CE ' ' OD1' ' A' ' 96' ' ' ASP . 10.1 mtp -121.97 138.3 28.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 94' ' ' GLN . 18.3 Cg_endo -74.98 134.4 17.8 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.496 1.787 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.462 ' CG ' HG21 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -38.37 -63.04 0.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -38.4 -72.86 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.422 ' OD1' ' CE ' ' A' ' 92' ' ' MET . 8.5 t70 -44.77 -53.66 7.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.353 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -47.58 -49.58 26.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 35.6 mmt -60.3 -24.84 65.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.963 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.424 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.5 OUTLIER -86.54 -47.72 16.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.416 ' O ' ' ND2' ' A' ' 104' ' ' ASN . 0.0 OUTLIER -60.23 -28.5 68.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.494 ' O ' ' CB ' ' A' ' 105' ' ' TYR . 0.8 OUTLIER -84.51 -49.11 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.493 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -63.08 -27.17 69.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.424 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 6.9 mmm180 -81.42 -65.05 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.416 ' ND2' ' O ' ' A' ' 100' ' ' LEU . 5.5 m-80 -49.48 -45.43 46.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.494 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 12.8 t80 -50.45 -52.88 34.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.951 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -51.58 -51.2 57.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.2 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.16 -46.18 5.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.8 t -144.0 107.55 4.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 108.249 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.98 127.03 40.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 109.996 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.437 ' CG1' HG13 ' A' ' 67' ' ' ILE . 89.8 t -86.8 121.23 37.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.468 ' CG2' HD21 ' A' ' 49' ' ' LEU . 2.6 mm -98.18 113.53 33.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.46 ' CG2' ' O ' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -128.73 95.92 2.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.1 m -65.75 -44.44 93.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.46 ' O ' ' CG2' ' A' ' 15' ' ' VAL . 2.2 t-20 -76.49 170.9 15.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.59 -29.02 8.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -50.65 -42.07 56.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.265 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.3 p -83.33 49.41 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.395 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -86.17 -50.54 6.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.252 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -75.94 -17.53 59.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.418 ' CE2' ' HA ' ' A' ' 72' ' ' GLN . 37.4 t80 -84.96 -63.94 1.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 111.044 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.81 -33.65 36.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.525 ' CG ' ' CD2' ' A' ' 40' ' ' LEU . 5.7 mt-10 -63.12 -12.19 25.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 29' ' ' ARG . 24.5 t -89.15 -68.95 0.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.989 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -46.75 -26.78 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.504 ' O ' ' CG1' ' A' ' 38' ' ' VAL . . . -75.19 -37.23 43.15 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.45 1.094 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.4 ptt-85 -81.88 -28.34 32.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 110.33 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -59.5 -34.98 73.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.457 ' HB ' ' CG2' ' A' ' 38' ' ' VAL . 74.7 t -74.65 -26.37 19.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 -74.67 -31.35 61.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -61.27 -15.44 35.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.21 -11.77 29.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.65 30.36 7.67 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.135 . . . . 0.0 111.065 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 95.6 mtp -114.67 136.2 53.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 0.779 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 49.7 t -66.39 120.63 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.504 ' CG1' ' O ' ' A' ' 28' ' ' GLY . 35.9 t -128.85 152.5 37.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -146.47 167.48 23.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.525 ' CD2' ' CG ' ' A' ' 25' ' ' GLU . 1.5 mp -116.96 128.97 55.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.9 mt -113.4 102.89 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -93.31 114.69 27.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.1 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.468 HD21 ' CG2' ' A' ' 14' ' ' ILE . 0.8 OUTLIER -48.82 -58.83 4.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 53' ' ' LEU . 96.3 p -39.46 -55.04 1.86 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.004 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.3 -41.78 0.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 110.279 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . -76.64 -43.02 39.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 50' ' ' SER . 51.2 mt -58.9 -28.89 66.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -70.81 -47.95 56.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -67.71 -23.3 65.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.45 HG12 ' CB ' ' A' ' 61' ' ' SER . 36.7 t -62.68 -56.6 16.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.43 -60.9 2.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.0 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.421 ' HG2' ' N ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -52.24 -41.52 62.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.421 ' N ' ' HG2' ' A' ' 58' ' ' ARG . . . -64.59 -26.63 71.03 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.518 1.136 . . . . 0.0 110.972 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.88 -33.36 4.62 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.45 ' CB ' HG12 ' A' ' 56' ' ' VAL . 1.1 m -39.07 107.29 0.42 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.552 0.795 . . . . 0.0 109.985 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.429 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.3 Cg_endo -75.0 -34.75 3.58 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.48 1.779 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.571 ' CE1' HG12 ' A' ' 81' ' ' ILE . 15.6 m-30 -115.58 137.83 51.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -132.08 123.04 26.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 109.331 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.47 ' CG2' HD13 ' A' ' 67' ' ' ILE . 22.7 mt -95.41 134.33 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.555 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 0.5 OUTLIER -99.03 132.41 44.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.47 HD13 ' CG2' ' A' ' 65' ' ' ILE . 4.1 mm -128.89 149.37 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 69' ' ' GLN . 5.2 t -174.49 155.71 2.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 110.376 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -38.52 -65.27 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.282 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -44.06 -61.19 1.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.555 ' CE1' ' CG1' ' A' ' 66' ' ' VAL . 8.9 m170 -41.91 -55.18 3.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.608 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.418 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 3.9 tt0 -39.09 -45.22 1.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.26 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 16.6 mt -57.95 -54.78 27.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 39.2 m-70 -74.58 -2.91 28.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.634 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.482 ' N ' ' O ' ' A' ' 71' ' ' HIS . 0.0 OUTLIER 49.07 23.1 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.326 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.69 159.11 22.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.997 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 3.6 p -133.45 175.36 9.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 108.298 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.421 ' HB ' ' CG1' ' A' ' 66' ' ' VAL . 22.7 m -113.43 112.9 24.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 110.407 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 61.3 t -90.18 113.63 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -116.59 116.72 28.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.571 HG12 ' CE1' ' A' ' 63' ' ' PHE . 47.1 mt -79.52 149.67 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.429 ' N ' ' O ' ' A' ' 62' ' ' PRO . 9.6 mmt -114.64 -23.72 9.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.419 ' O ' ' CG2' ' A' ' 81' ' ' ILE . 0.5 OUTLIER -105.93 152.89 22.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.04 -171.74 34.84 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.471 ' CG2' ' HD2' ' A' ' 86' ' ' PRO . 2.5 m -40.49 146.56 0.43 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 110.407 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.471 ' HD2' ' CG2' ' A' ' 85' ' ' THR . 18.3 Cg_endo -75.03 91.05 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.481 1.779 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.61 114.47 28.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.329 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -113.83 113.45 24.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.31 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -100.37 119.45 38.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.61 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.7 mtt-85 -107.44 134.76 50.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 57.74 90.41 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 22.1 mmm -133.7 136.48 26.78 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 144.39 30.13 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.449 1.763 . . . . 0.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -37.97 -70.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 98' ' ' MET . . . -37.81 -70.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -42.28 -46.15 4.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.0 -43.26 95.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -66.21 -28.96 69.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -82.57 -44.66 19.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.35 -30.52 71.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.8 OUTLIER -83.87 -48.04 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.475 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -61.42 -34.66 75.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.3 mmm180 -73.9 -59.47 2.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 110.326 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -54.3 -49.63 69.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.441 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 17.2 t80 -46.32 -53.22 11.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -42.36 -54.78 3.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 110.329 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.27 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.417 ' CG1' ' N ' ' A' ' 10' ' ' ASP . 9.7 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.417 ' N ' ' CG1' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -91.0 -43.86 9.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -142.03 111.99 6.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 108.247 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.46 131.21 36.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.032 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.9 t -92.29 124.94 44.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.442 ' CG2' HD21 ' A' ' 49' ' ' LEU . 2.3 mm -110.25 111.02 34.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.61 106.63 20.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.6 m -91.64 -32.52 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.459 ' CG ' ' N ' ' A' ' 18' ' ' LYS . 12.8 t-20 -51.32 164.41 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.459 ' N ' ' CG ' ' A' ' 17' ' ' ASN . 8.4 tptt -69.72 -81.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -94.87 100.03 11.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -152.62 23.51 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.409 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 42' ' ' PHE . 8.0 ttmt -70.94 -62.87 1.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -44.4 -39.0 4.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.429 ' CE1' ' HA ' ' A' ' 72' ' ' GLN . 44.7 t80 -75.02 -65.18 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.22 -49.0 23.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.482 ' CG ' HD21 ' A' ' 40' ' ' LEU . 53.2 mt-10 -50.9 -21.29 1.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 29' ' ' ARG . 5.0 t -83.45 -68.22 0.73 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.036 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.466 HG11 ' CD1' ' A' ' 67' ' ' ILE . 0.3 OUTLIER -49.6 -26.96 2.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.508 ' O ' ' CG1' ' A' ' 38' ' ' VAL . . . -75.58 -26.66 64.86 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -91.07 -35.14 14.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 110.312 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.87 -39.15 24.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.466 ' HB ' ' CG2' ' A' ' 38' ' ' VAL . 60.6 t -72.38 -29.53 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 29' ' ' ARG . 30.8 mtp180 -71.88 -31.77 66.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.336 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -59.88 -19.41 51.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.84 -11.62 41.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.11 25.57 12.57 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.125 . . . . 0.0 110.995 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 89.8 mtp -108.74 136.69 47.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 0.772 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.6 t -66.62 126.85 26.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.508 ' CG1' ' O ' ' A' ' 28' ' ' GLY . 96.4 t -136.59 149.19 26.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -135.34 168.09 19.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.482 HD21 ' CG ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -121.08 126.22 49.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.5 mt -114.48 114.05 45.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.562 ' CZ ' ' HB2' ' A' ' 21' ' ' LYS . 47.7 m-85 -103.16 121.33 42.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.5 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.34 179.952 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.442 HD21 ' CG2' ' A' ' 14' ' ' ILE . 0.9 OUTLIER -40.47 -57.81 1.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 53' ' ' LEU . 94.6 p -39.24 -55.29 1.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.015 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -39.14 -39.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . -80.33 -43.32 21.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 50' ' ' SER . 68.2 mt -57.92 -32.68 67.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -67.52 -39.17 85.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.85 -26.16 62.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.435 HG11 ' CB ' ' A' ' 61' ' ' SER . 15.5 t -64.3 -72.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -45.06 -63.92 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.01 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.425 ' HG2' ' N ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER -52.92 -37.96 61.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.425 ' N ' ' HG2' ' A' ' 58' ' ' ARG . . . -66.25 -22.86 71.27 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.491 1.12 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 114.44 -33.53 5.35 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.435 ' CB ' HG11 ' A' ' 56' ' ' VAL . 0.4 OUTLIER -39.47 112.87 0.8 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.543 0.79 . . . . 0.0 110.029 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -39.34 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.561 1.821 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.568 ' CE1' HG12 ' A' ' 81' ' ' ILE . 14.4 m-30 -113.76 147.05 38.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.123 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -137.05 125.76 23.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.355 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.472 ' CG2' HD12 ' A' ' 67' ' ' ILE . 4.6 mt -95.33 129.85 44.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.602 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 1.2 t -95.31 123.18 47.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.472 HD12 ' CG2' ' A' ' 65' ' ' ILE . 6.4 mm -122.55 157.46 27.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.417 HG22 ' ND1' ' A' ' 71' ' ' HIS . 11.0 t -174.09 -158.42 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.419 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.423 ' HG3' ' ND2' ' A' ' 17' ' ' ASN . 2.7 tt0 -73.66 -63.44 1.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' A' ' 73' ' ' ILE . 0.0 OUTLIER -54.02 -54.43 39.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.278 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.602 ' CE1' ' CG1' ' A' ' 66' ' ' VAL . 27.9 m170 -43.94 -32.39 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.639 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.429 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 1.4 tt0 -74.71 -44.21 51.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.264 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 70' ' ' GLN . 64.5 mt -61.19 -47.22 94.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -85.47 -10.1 56.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.61 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 71' ' ' HIS . 0.0 OUTLIER 58.04 30.67 19.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.459 ' O ' ' CD2' ' A' ' 71' ' ' HIS . 57.5 p -123.91 137.46 54.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.031 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.5 p -120.05 174.3 6.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 108.281 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.0 m -113.25 116.78 30.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 110.437 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.457 HG11 ' CD2' ' A' ' 100' ' ' LEU . 60.0 t -90.41 119.59 37.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -117.64 120.73 38.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.568 HG12 ' CE1' ' A' ' 63' ' ' PHE . 37.1 mt -83.45 143.09 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.0 mmt -107.01 -28.76 9.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.593 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -95.89 149.78 21.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.958 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.04 -169.64 38.79 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.474 ' CG2' ' HD2' ' A' ' 86' ' ' PRO . 2.4 m -43.17 146.5 0.82 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 110.406 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 85' ' ' THR . 18.3 Cg_endo -75.04 99.12 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.529 1.805 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -112.68 115.95 29.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -112.7 107.12 15.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.569 ' CD2' HD12 ' A' ' 100' ' ' LEU . 63.1 m-70 -94.47 110.57 22.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.639 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 45.6 mtp180 -101.56 135.58 42.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.8 m120 58.57 92.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 11.2 mmm -141.66 137.21 16.07 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.542 1.152 . . . . 0.0 110.939 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 148.6 35.53 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.476 1.777 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.421 ' NE2' ' CG2' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -49.8 -65.88 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.348 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -39.08 -42.41 0.91 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 99' ' ' VAL . 0.4 OUTLIER -71.08 -56.61 5.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -49.38 -28.36 4.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.457 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 29.7 mmt -73.81 -30.18 62.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.445 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.3 OUTLIER -80.92 -41.77 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.569 HD12 ' CD2' ' A' ' 89' ' ' HIS . 0.1 OUTLIER -65.07 -28.67 69.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.501 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.6 OUTLIER -88.63 -49.85 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.501 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -58.76 -36.5 74.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.445 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 2.2 mmt85 -73.19 -71.3 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 100' ' ' LEU . 7.0 m-80 -41.88 -57.62 2.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.481 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 13.6 t80 -38.13 -58.12 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -42.39 -56.85 2.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.8 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.84 -45.8 71.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.348 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 t -141.74 107.61 5.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 108.266 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.11 125.21 36.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 110.039 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.423 ' CG1' HG13 ' A' ' 67' ' ' ILE . 62.5 t -88.62 115.36 28.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.44 ' CG2' HD22 ' A' ' 49' ' ' LEU . 3.9 mm -93.89 112.11 26.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 17' ' ' ASN . 0.9 OUTLIER -126.07 95.8 3.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.9 m -72.42 -29.91 32.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.499 ' O ' ' CG2' ' A' ' 15' ' ' VAL . 14.2 m-80 -95.26 122.14 37.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -66.09 -40.26 90.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.5 -41.75 1.5 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.344 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.428 ' CG2' ' HB2' ' A' ' 72' ' ' GLN . 1.3 p -88.61 65.09 7.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.388 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -90.52 -54.56 3.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -65.79 -56.24 12.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.497 ' CE2' ' HA ' ' A' ' 72' ' ' GLN . 4.7 t80 -42.39 -49.61 5.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.27 -41.68 73.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.15 -21.61 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 29' ' ' ARG . 5.6 t -84.51 -67.79 0.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 109.978 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 26' ' ' SER . 0.3 OUTLIER -39.14 -32.76 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.422 ' CA ' HG11 ' A' ' 38' ' ' VAL . . . -73.82 -49.64 13.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 26' ' ' SER . 2.1 ptm180 -64.82 -26.74 68.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -63.69 -42.72 97.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.269 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.463 ' HB ' ' CG2' ' A' ' 38' ' ' VAL . 60.1 t -70.5 -25.99 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 0.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.7 mtm180 -74.99 -34.83 62.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -59.22 -17.98 32.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.418 ' CD1' ' HA ' ' A' ' 31' ' ' VAL . 0.9 OUTLIER -90.49 -10.55 43.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.15 31.37 8.09 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.529 1.143 . . . . 0.0 110.966 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.605 ' SD ' ' CE1' ' A' ' 105' ' ' TYR . 32.4 mmm -116.61 139.03 50.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 0.734 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.2 t -67.34 128.37 30.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.463 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 23.6 t -131.72 148.09 32.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -139.02 167.53 21.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -123.62 125.37 44.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.0 mt -110.85 106.06 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -92.1 116.0 28.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 55.4 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.44 HD22 ' CG2' ' A' ' 14' ' ' ILE . 0.4 OUTLIER -57.3 -59.71 4.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 53' ' ' LEU . 78.9 p -45.52 -56.14 5.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.94 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -43.84 -36.56 2.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.268 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.446 ' O ' ' CG2' ' A' ' 56' ' ' VAL . . . -79.11 -37.88 37.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 50' ' ' SER . 33.4 mt -59.16 -29.7 67.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -71.89 -55.11 8.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.434 ' HA ' ' CG ' ' A' ' 58' ' ' ARG . 2.0 t70 -59.63 -23.45 63.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.446 ' CG2' ' O ' ' A' ' 52' ' ' ALA . 41.6 t -64.59 -65.03 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.8 t -66.53 -55.56 14.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.021 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.445 ' CD ' ' C ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -51.67 -26.05 8.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.428 ' N ' ' HG3' ' A' ' 58' ' ' ARG . . . -83.43 -32.12 25.97 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 129.9 -29.31 3.76 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 73.9 m -38.79 113.35 0.76 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 0.78 . . . . 0.0 110.04 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.2 Cg_endo -75.02 -45.66 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.78 . . . . 0.0 110.968 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.493 ' CE1' HG12 ' A' ' 81' ' ' ILE . 11.8 m-30 -113.95 143.82 44.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -140.22 124.67 17.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.411 HG23 ' N ' ' A' ' 66' ' ' VAL . 49.5 mt -95.72 142.26 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.53 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 0.4 OUTLIER -104.8 128.5 58.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.437 ' N ' ' O ' ' A' ' 14' ' ' ILE . 4.3 mm -125.49 147.92 30.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.337 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.4 t -173.77 160.56 3.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.374 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.86 -60.58 2.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -46.33 -47.84 18.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.333 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.53 ' CE1' ' CG1' ' A' ' 66' ' ' VAL . 9.1 m170 -59.3 -39.82 84.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.598 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.497 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 12.0 tt0 -56.16 -21.0 20.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.3 mt -87.19 -49.76 14.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -76.13 -2.88 33.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.612 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 71' ' ' HIS . 3.1 mmm180 46.09 38.08 4.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.294 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.2 p -132.83 159.64 39.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.167 . . . . 0.0 110.008 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -129.4 175.63 8.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 108.319 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.463 ' HB ' ' CG1' ' A' ' 66' ' ' VAL . 53.3 m -121.11 109.55 15.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.413 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 88.3 t -89.64 126.84 42.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 61.5 m-20 -130.4 114.97 16.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.493 HG12 ' CE1' ' A' ' 63' ' ' PHE . 55.5 mt -75.05 150.34 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 62' ' ' PRO . 4.7 mmt -125.91 0.65 7.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.96 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.42 ' O ' ' O ' ' A' ' 84' ' ' GLY . 0.3 OUTLIER -131.02 141.69 50.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 111.009 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' A' ' 85' ' ' THR . . . 52.76 106.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.437 ' O ' ' O ' ' A' ' 84' ' ' GLY . 22.1 m 56.23 113.19 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.485 0.756 . . . . 0.0 110.421 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 92.83 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.427 1.751 . . . . 0.0 111.045 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -107.89 152.6 24.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.345 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -136.92 107.21 6.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.545 ' CD2' HD13 ' A' ' 100' ' ' LEU . 91.6 m-70 -95.99 114.52 26.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.583 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.8 mtm180 -108.59 145.95 34.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.334 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 42.8 m-20 58.53 80.85 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 17.2 mmm -134.5 134.38 22.35 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 137.33 21.62 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.447 1.762 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -38.77 -64.49 0.44 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.446 1.092 . . . . 0.0 110.271 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -37.74 -56.7 1.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -60.79 -50.68 72.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.316 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -50.47 -37.58 39.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 30.5 mmt -69.06 -26.5 64.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.496 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.4 OUTLIER -86.2 -43.56 16.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.246 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.545 HD13 ' CD2' ' A' ' 89' ' ' HIS . 0.0 OUTLIER -62.69 -28.04 69.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.476 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.8 OUTLIER -85.66 -47.83 16.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.476 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -63.18 -34.61 78.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 5.4 mmm-85 -70.2 -68.81 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -44.11 -51.02 8.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.605 ' CE1' ' SD ' ' A' ' 36' ' ' MET . 9.2 t80 -47.7 -55.39 9.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -44.07 -60.43 1.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.272 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.7 t . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.76 -46.4 10.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.5 t -148.83 114.52 5.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 108.273 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.2 m -96.55 128.15 43.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.464 ' CG1' HG13 ' A' ' 67' ' ' ILE . 84.7 t -86.73 120.49 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.1 mm -97.22 112.93 30.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.257 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.418 ' CG2' ' O ' ' A' ' 17' ' ' ASN . 0.9 OUTLIER -125.66 102.86 10.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.127 . . . . 0.0 109.268 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.46 ' CG1' HD11 ' A' ' 43' ' ' LEU . 10.2 m -80.28 -28.28 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.418 ' O ' ' CG2' ' A' ' 15' ' ' VAL . 15.3 m120 -100.15 121.83 42.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -62.75 -40.78 98.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 0.0 109.328 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.93 -43.32 2.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.43 HG23 ' CG ' ' A' ' 72' ' ' GLN . 1.2 p -82.97 55.86 3.25 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.521 1.138 . . . . 0.0 110.434 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.515 ' O ' ' CG ' ' A' ' 25' ' ' GLU . 14.5 tttt -89.62 -67.48 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.92 -39.59 54.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -67.17 -64.41 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.951 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.38 -35.76 52.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.515 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 5.4 mm-40 -61.75 -21.54 64.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 29' ' ' ARG . 8.3 t -80.78 -68.01 0.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.042 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -44.43 -32.69 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.415 ' CA ' HG22 ' A' ' 13' ' ' VAL . . . -73.7 -39.23 49.0 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 26' ' ' SER . 4.6 ptm180 -78.52 -22.01 47.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 0.764 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -68.82 -37.29 79.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.483 HG11 ' CG2' ' A' ' 38' ' ' VAL . 68.4 t -72.46 -20.57 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.6 mtp180 -80.58 -32.11 36.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -59.72 -17.35 34.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.38 -12.53 34.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.3 4.85 54.94 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 56.6 mtp -88.42 134.45 33.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 0.791 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.5 t -65.69 128.36 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.483 ' CG2' HG11 ' A' ' 31' ' ' VAL . 36.4 t -130.54 150.18 34.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -138.36 168.69 19.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.547 HD23 ' CE2' ' A' ' 42' ' ' PHE . 1.8 mp -125.64 127.95 47.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 20.6 mt -115.8 99.97 9.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.547 ' CE2' HD23 ' A' ' 40' ' ' LEU . 39.7 m-85 -89.36 115.71 27.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.46 HD11 ' CG1' ' A' ' 16' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.0 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.423 ' C ' ' CD2' ' A' ' 49' ' ' LEU . 0.6 OUTLIER -65.77 -53.33 41.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 96.7 p -47.16 -46.64 23.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.023 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -45.99 -35.51 4.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.331 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.475 ' O ' ' CG2' ' A' ' 56' ' ' VAL . . . -79.67 -40.02 30.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 44.9 mt -58.94 -39.44 81.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -63.0 -38.18 90.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.285 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.33 -27.06 35.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.475 ' CG2' ' O ' ' A' ' 52' ' ' ALA . 52.5 t -60.3 -44.0 94.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 60' ' ' GLY . 0.0 OUTLIER -66.7 -66.46 0.55 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 110.063 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.42 ' HB2' ' NH1' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -46.28 -36.37 6.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.404 ' N ' ' CG ' ' A' ' 58' ' ' ARG . . . -62.94 -31.98 82.43 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 57' ' ' SER . . . 118.79 -30.53 5.88 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.441 ' HB2' ' CG1' ' A' ' 56' ' ' VAL . 0.7 OUTLIER -38.54 110.28 0.55 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 110.04 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.2 Cg_endo -75.0 -34.84 3.51 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.492 1.785 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 15.8 m-30 -115.99 149.13 39.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 111.059 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.77 126.75 14.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.48 ' CG2' HD13 ' A' ' 67' ' ' ILE . 27.5 mt -100.43 139.56 21.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.6 HG13 ' CE1' ' A' ' 71' ' ' HIS . 0.4 OUTLIER -100.33 132.38 46.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.48 HD13 ' CG2' ' A' ' 65' ' ' ILE . 6.4 mm -129.08 147.38 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -175.93 176.11 1.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.386 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -49.73 -65.43 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 73' ' ' ILE . 2.9 mm100 -49.06 -66.78 0.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.6 ' CE1' HG13 ' A' ' 66' ' ' VAL . 36.8 m80 -37.43 -35.87 0.14 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.588 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.43 ' CG ' HG23 ' A' ' 20' ' ' THR . 8.4 tt0 -62.46 -55.47 27.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 70' ' ' GLN . 6.0 mt -57.3 -59.59 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -62.52 -17.66 60.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.621 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 71' ' ' HIS . 5.8 mtp180 58.91 31.46 21.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.4 p -124.71 140.36 53.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.989 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 3.1 m -117.15 176.6 5.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 108.305 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.6 m -117.7 118.61 32.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.418 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.441 ' CG1' HD23 ' A' ' 100' ' ' LEU . 60.0 t -89.63 107.89 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -111.92 110.94 21.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 58.1 mt -79.28 149.66 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 62' ' ' PRO . 7.6 mmt -113.75 -24.83 8.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.57 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -98.39 151.07 20.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 67.51 -157.54 51.79 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.534 1.146 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.477 ' CG2' ' HD2' ' A' ' 86' ' ' PRO . 2.6 m -57.42 146.52 63.2 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 110.445 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 85' ' ' THR . 18.2 Cg_endo -75.02 99.07 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.528 1.804 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -114.7 109.4 18.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.262 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -108.58 97.69 7.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -83.3 109.94 17.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.596 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.7 mtp-105 -94.06 132.56 38.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.6 t30 66.96 89.24 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 39.0 mtp -131.74 131.41 22.72 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 94' ' ' GLN . 18.3 Cg_endo -75.03 139.98 24.83 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.578 1.831 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -37.76 -65.68 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 110.339 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -38.55 -72.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 99' ' ' VAL . 1.0 OUTLIER -45.12 -52.46 9.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -49.78 -41.39 44.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 27.6 mmt -72.57 -22.26 61.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.508 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.4 OUTLIER -86.08 -50.13 14.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.474 ' N ' ' CG1' ' A' ' 99' ' ' VAL . 0.1 OUTLIER -54.23 -41.28 68.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.426 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.5 OUTLIER -68.43 -45.1 82.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.426 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -71.12 -14.12 62.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.508 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 8.4 mmm-85 -88.18 -55.74 3.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.415 ' CG ' ' O ' ' A' ' 100' ' ' LEU . 2.7 m120 -58.28 -56.56 20.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.4 ' C ' ' O ' ' A' ' 104' ' ' ASN . 29.6 t80 -37.77 -48.73 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -50.13 -58.58 5.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.33 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.477 ' CG1' ' O ' ' A' ' 11' ' ' CYS . 73.1 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -40.23 -39.76 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.477 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 41.8 t -143.87 121.29 11.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 108.309 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.3 m -104.51 122.26 45.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.0 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.2 t -87.23 118.5 33.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 mm -100.56 102.81 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -110.99 99.43 8.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 33.3 m -79.99 58.42 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 174.43 -171.36 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -123.16 -43.69 2.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.5 -43.79 1.32 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.28 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.4 p -89.07 51.96 2.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.393 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -85.96 -56.58 3.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.433 1.083 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.99 -46.64 86.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -57.55 -60.97 2.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 111.053 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.65 -38.62 60.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.526 ' CG ' ' CD2' ' A' ' 40' ' ' LEU . 3.3 mt-10 -63.79 -10.78 21.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.147 . . . . 0.0 110.333 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.488 ' HA ' ' CZ ' ' A' ' 29' ' ' ARG . 7.2 t -89.27 -70.87 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.994 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.457 HG22 ' CG ' ' A' ' 94' ' ' GLN . 0.3 OUTLIER -41.89 -30.52 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 26' ' ' SER . . . -75.09 -45.69 19.1 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.531 1.144 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.488 ' CZ ' ' HA ' ' A' ' 26' ' ' SER . 0.3 OUTLIER -70.39 -29.17 65.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 0.776 . . . . 0.0 110.294 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -59.94 -39.01 84.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.452 ' HB ' ' CG2' ' A' ' 38' ' ' VAL . 97.1 t -70.27 -27.22 31.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -73.22 -33.01 65.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 110.254 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -60.04 -17.74 41.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.48 -11.92 36.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.96 31.49 6.94 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.455 1.097 . . . . 0.0 111.034 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 91.2 mtp -115.64 134.32 55.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 0.801 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.6 t -66.41 119.21 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.452 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 48.5 t -129.96 151.06 35.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.401 ' CG ' ' N ' ' A' ' 40' ' ' LEU . 16.4 t70 -144.03 168.42 20.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.526 ' CD2' ' CG ' ' A' ' 25' ' ' GLU . 1.5 mp -116.41 132.31 56.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 24.4 mt -114.75 106.31 20.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -93.02 120.56 33.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 39.2 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.959 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.9 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.002 -0.369 . . . . 0.0 110.002 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.497 ' CD2' ' C ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -46.49 -55.13 7.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.6 p -44.43 -47.76 9.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.001 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -47.62 -31.45 4.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.335 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . -83.11 -38.64 22.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 23.6 mt -56.75 -44.15 81.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -57.67 -37.75 73.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.436 ' HA ' ' CG ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER -68.82 -33.38 73.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.429 ' CG1' ' HB3' ' A' ' 64' ' ' ALA . 69.2 t -64.75 -40.24 88.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.11 -51.16 7.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 110.037 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.445 ' HG3' ' N ' ' A' ' 59' ' ' GLY . 0.1 OUTLIER -63.88 -22.52 66.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.324 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.445 ' N ' ' HG3' ' A' ' 58' ' ' ARG . . . -85.65 -32.42 18.81 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 61' ' ' SER . . . 124.82 -29.57 4.88 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.427 ' HB3' ' CG1' ' A' ' 56' ' ' VAL . 1.0 OUTLIER -38.1 117.09 0.9 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 110.002 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.415 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.4 Cg_endo -75.0 -45.14 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.526 1.803 . . . . 0.0 111.017 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.563 ' CD1' HG12 ' A' ' 81' ' ' ILE . 9.9 m-30 -112.74 153.0 28.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.429 ' HB3' ' CG1' ' A' ' 56' ' ' VAL . . . -144.3 125.37 14.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.471 ' CG2' HD13 ' A' ' 67' ' ' ILE . 8.8 mt -95.23 141.43 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.65 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 0.4 OUTLIER -107.88 131.94 56.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.471 HD13 ' CG2' ' A' ' 65' ' ' ILE . 4.7 mm -125.79 150.87 31.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.432 HG21 ' CG ' ' A' ' 71' ' ' HIS . 2.5 t -174.62 161.48 3.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.441 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 68' ' ' THR . 8.7 mt-30 -38.38 -64.99 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.34 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 73' ' ' ILE . 0.0 OUTLIER -50.9 -62.27 1.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.327 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.65 ' CE1' ' CG1' ' A' ' 66' ' ' VAL . 21.1 m170 -39.78 -37.16 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.627 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -62.24 -50.6 71.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 70' ' ' GLN . 12.7 mt -56.25 -65.41 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -61.65 -17.64 56.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 109.617 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 71' ' ' HIS . 6.4 mtp180 61.93 33.99 17.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.269 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.4 p -123.54 143.14 50.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.978 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.7 p -121.19 175.5 6.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 108.327 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 52.3 m -116.56 114.45 24.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.372 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.431 HG11 ' CD2' ' A' ' 100' ' ' LEU . 57.7 t -90.91 113.63 26.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -112.59 118.33 34.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.563 HG12 ' CD1' ' A' ' 63' ' ' PHE . 29.6 mt -84.82 144.28 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 62' ' ' PRO . 9.9 mmt -107.86 -28.02 9.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 111.045 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.609 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.3 OUTLIER -100.61 149.26 23.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 111.003 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.0 -165.59 54.77 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.472 1.108 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.474 ' CG2' ' HD2' ' A' ' 86' ' ' PRO . 2.6 m -51.16 146.46 11.18 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.528 0.781 . . . . 0.0 110.386 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 85' ' ' THR . 18.3 Cg_endo -75.0 101.2 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.529 1.805 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -116.15 110.45 18.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -104.29 103.31 13.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.566 ' CD2' HD11 ' A' ' 100' ' ' LEU . 75.3 m-70 -88.05 110.96 21.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.61 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.9 mtp85 -103.2 128.91 50.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 60.08 94.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.464 ' CE ' ' HB3' ' A' ' 96' ' ' ASP . 9.6 mmm -138.95 136.99 18.81 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 139.02 23.83 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.547 1.814 . . . . 0.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.457 ' CG ' HG22 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -39.13 -64.4 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.303 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -39.65 -49.58 2.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.464 ' HB3' ' CE ' ' A' ' 92' ' ' MET . 0.5 OUTLIER -62.89 -58.36 7.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -46.65 -43.34 17.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 32.2 mmt -62.83 -29.22 70.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 111.039 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 96' ' ' ASP . 0.4 OUTLIER -83.41 -42.31 17.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.566 HD11 ' CD2' ' A' ' 89' ' ' HIS . 0.1 OUTLIER -63.85 -28.57 69.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.1 . . . . 0.0 109.267 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.498 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.5 OUTLIER -87.26 -49.66 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.349 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.498 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -60.73 -34.1 73.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.353 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.42 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 5.5 mmm180 -72.48 -66.8 0.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 110.259 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -49.01 -56.5 8.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.494 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 17.3 t80 -38.35 -57.71 1.09 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 111.046 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -41.01 -56.77 2.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.346 179.952 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.81 -42.82 3.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.1 t -149.38 106.05 3.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 108.312 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.62 135.39 33.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.029 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.449 ' CG1' HG13 ' A' ' 67' ' ' ILE . 57.5 t -90.47 133.27 32.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.451 ' CG2' HD23 ' A' ' 49' ' ' LEU . 3.0 mm -110.1 110.84 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' A' ' 17' ' ' ASN . 0.3 OUTLIER -125.85 97.17 4.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 109.349 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.8 m -68.96 -39.15 79.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.426 ' O ' ' CG2' ' A' ' 15' ' ' VAL . 4.7 m120 -79.93 173.08 12.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -111.22 -32.15 6.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -50.94 -38.9 53.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.6 p -86.45 50.19 1.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.371 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.463 ' HE3' ' CZ ' ' A' ' 42' ' ' PHE . 1.6 tttt -87.49 -40.99 13.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.32 -32.94 29.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -72.69 -54.57 8.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.962 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.02 -38.98 77.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.525 ' CG ' ' CD2' ' A' ' 40' ' ' LEU . 6.0 mt-10 -62.8 -12.16 22.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 29' ' ' ARG . 5.1 t -87.45 -67.67 0.81 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.108 . . . . 0.0 109.958 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.464 HG23 ' CG ' ' A' ' 94' ' ' GLN . 0.3 OUTLIER -50.35 -29.16 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.513 ' O ' ' CG1' ' A' ' 38' ' ' VAL . . . -71.39 -23.52 77.96 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 0.0 110.941 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 26' ' ' SER . 3.5 ptm180 -93.02 -33.55 14.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 110.272 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.07 -33.55 26.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.446 ' HB ' ' CG2' ' A' ' 38' ' ' VAL . 19.1 t -77.8 -28.88 15.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 29' ' ' ARG . 27.9 mtm180 -73.43 -31.74 63.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -59.81 -18.01 40.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.86 -11.68 38.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.97 25.67 11.15 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.499 1.124 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 89.3 mtp -108.25 135.33 49.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 0.784 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.4 t -65.91 123.56 19.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.513 ' CG1' ' O ' ' A' ' 28' ' ' GLY . 86.0 t -136.46 150.98 27.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 0.0 109.278 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -142.87 168.2 20.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.525 ' CD2' ' CG ' ' A' ' 25' ' ' GLU . 0.8 OUTLIER -115.43 128.58 56.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 18.5 mt -111.02 110.09 30.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.261 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.463 ' CZ ' ' HE3' ' A' ' 21' ' ' LYS . 41.5 m-85 -97.66 125.77 42.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.451 HD23 ' CG2' ' A' ' 14' ' ' ILE . 0.4 OUTLIER -58.23 -62.22 1.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.26 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 85.8 p -44.98 -48.23 11.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.986 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -45.51 -32.53 2.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.494 ' O ' ' CG2' ' A' ' 56' ' ' VAL . . . -87.1 -40.82 14.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 54.4 mt -58.86 -44.59 91.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -61.43 -34.49 75.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -80.89 -31.28 35.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 52' ' ' ALA . 69.8 t -60.1 -47.47 91.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -63.83 0.99 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 110.011 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.449 ' CG ' ' N ' ' A' ' 59' ' ' GLY . 0.3 OUTLIER -51.83 -39.32 58.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.274 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.449 ' N ' ' CG ' ' A' ' 58' ' ' ARG . . . -61.71 -32.16 80.62 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 127.08 -35.08 2.94 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.433 ' HB3' ' CG1' ' A' ' 56' ' ' VAL . 1.2 m -39.12 112.23 0.71 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.513 0.772 . . . . 0.0 110.046 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.1 Cg_endo -75.07 -41.59 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 110.967 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.572 ' CE1' HG12 ' A' ' 81' ' ' ILE . 14.3 m-30 -113.75 146.79 39.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 111.02 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -138.14 126.51 23.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.47 ' CG2' HD13 ' A' ' 67' ' ' ILE . 6.1 mt -97.52 130.53 46.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.479 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 0.5 OUTLIER -94.67 121.57 45.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.584 1.177 . . . . 0.0 109.331 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.47 HD13 ' CG2' ' A' ' 65' ' ' ILE . 4.4 mm -125.91 131.39 71.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 38.3 p -146.63 -165.73 2.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.391 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.24 -64.74 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.422 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 1.1 tt0 -46.67 -56.27 6.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.338 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.479 ' CE1' ' CG1' ' A' ' 66' ' ' VAL . 11.3 m80 -40.25 -55.43 2.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.619 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -39.12 -41.84 0.87 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.422 ' CD1' ' HA ' ' A' ' 70' ' ' GLN . 8.3 mt -64.03 -50.61 76.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.427 ' N ' ' O ' ' A' ' 71' ' ' HIS . 31.6 m-70 -76.12 -1.75 27.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.586 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 71' ' ' HIS . 0.1 OUTLIER 46.44 26.17 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.265 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -123.8 155.66 37.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.6 p -127.98 172.88 10.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 108.307 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.433 ' HB ' ' CG1' ' A' ' 66' ' ' VAL . 23.0 m -112.02 117.49 32.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.365 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 86.3 t -89.8 126.68 42.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -127.53 117.17 21.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.572 HG12 ' CE1' ' A' ' 63' ' ' PHE . 33.6 mt -83.77 145.11 8.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 62' ' ' PRO . 4.9 mmt -111.52 -23.8 10.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.473 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.3 OUTLIER -104.27 157.67 16.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 62.13 -171.21 10.3 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.462 ' CG2' ' HD2' ' A' ' 86' ' ' PRO . 2.5 m -41.06 146.55 0.48 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 0.773 . . . . 0.0 110.41 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.462 ' HD2' ' CG2' ' A' ' 85' ' ' THR . 18.1 Cg_endo -75.07 89.9 1.13 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.463 1.77 . . . . 0.0 110.933 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -109.63 113.99 27.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -112.92 109.31 18.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.421 ' CE1' ' CD1' ' A' ' 100' ' ' LEU . 40.8 m-70 -95.67 112.25 24.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.605 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -102.09 140.99 35.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.8 t30 54.54 92.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 13.1 mmm -139.58 137.22 18.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 144.75 30.54 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.546 1.814 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.464 ' CG ' HG23 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -39.0 -71.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.322 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -37.46 -62.14 0.54 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.44 -59.52 2.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -48.31 -48.5 35.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.407 ' SD ' ' O ' ' A' ' 94' ' ' GLN . 0.0 OUTLIER -58.42 -27.02 63.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.957 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.432 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.5 OUTLIER -85.55 -46.12 17.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.421 ' CD1' ' CE1' ' A' ' 89' ' ' HIS . 0.0 OUTLIER -62.98 -28.58 70.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.478 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.8 OUTLIER -84.03 -48.13 17.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.478 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -63.48 -31.03 72.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.432 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 1.6 mmm180 -74.82 -58.69 3.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -56.69 -52.66 64.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.418 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 26.3 t80 -41.93 -53.49 3.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.58 1.175 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -44.25 -64.14 0.74 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 110.338 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.412 ' HA ' ' CG1' ' A' ' 37' ' ' VAL . 34.5 t . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.419 ' HB2' ' N ' ' A' ' 37' ' ' VAL . 0.6 OUTLIER -103.35 -32.3 9.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.0 97.16 2.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 108.344 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.2 p -81.76 121.77 26.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.469 ' CG1' HG13 ' A' ' 67' ' ' ILE . 62.4 t -87.86 116.65 30.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 mm -100.16 105.78 18.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -111.15 95.99 4.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.464 ' CG1' ' HG ' ' A' ' 49' ' ' LEU . 11.1 m -80.66 66.16 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 167.93 127.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -51.85 -24.93 6.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.437 ' C ' ' N ' ' A' ' 21' ' ' LYS . 2.1 mm-40 -74.07 -165.03 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.348 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 p 39.94 29.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.355 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.437 ' N ' ' C ' ' A' ' 19' ' ' GLN . 4.8 tttt -63.75 -59.29 4.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -60.08 -52.61 64.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.252 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -49.74 -57.12 7.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.31 -38.06 76.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.491 ' CG ' ' CD2' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -66.18 -9.72 34.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 29' ' ' ARG . 4.2 t -91.39 -70.25 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.957 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -43.2 -29.11 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.429 ' CA ' HG11 ' A' ' 38' ' ' VAL . . . -72.71 -43.35 43.44 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.457 1.098 . . . . 0.0 110.951 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.477 ' CG ' ' N ' ' A' ' 30' ' ' LYS . 4.5 ptm180 -69.85 -40.99 75.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.754 . . . . 0.0 110.341 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.477 ' N ' ' CG ' ' A' ' 29' ' ' ARG . 8.6 mptt -46.01 -42.19 12.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.467 ' HB ' ' CG2' ' A' ' 38' ' ' VAL . 48.7 t -67.05 -35.53 74.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 29' ' ' ARG . 15.0 mtp180 -64.37 -31.32 72.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -61.81 -21.07 64.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.04 -10.7 46.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.26 35.6 5.69 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.457 ' HG2' ' CE1' ' A' ' 105' ' ' TYR . 80.8 mtp -119.8 135.25 54.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.763 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.419 ' N ' ' HB2' ' A' ' 10' ' ' ASP . 22.3 t -65.49 123.17 17.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.467 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 30.7 t -128.84 148.96 33.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -143.96 167.16 23.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.491 ' CD2' ' CG ' ' A' ' 25' ' ' GLU . 1.5 mp -119.87 129.09 54.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 31.2 mt -118.94 107.92 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.414 ' CZ ' ' HE3' ' A' ' 21' ' ' LYS . 63.8 m-85 -90.41 124.71 35.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.6 mt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.091 . . . . 0.0 109.297 -179.985 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.9 t . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.464 ' HG ' ' CG1' ' A' ' 16' ' ' VAL . 1.0 OUTLIER -60.02 -50.74 72.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 84.1 p -45.28 -47.75 12.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -43.52 -31.41 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.302 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.13 -44.44 15.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.408 ' HG ' ' CD2' ' A' ' 49' ' ' LEU . 93.1 mt -59.94 -39.55 85.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -65.03 -24.47 67.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.266 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 59' ' ' GLY . 12.4 t0 -89.19 -26.02 21.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.7 t -64.72 -60.8 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.31 -57.89 10.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.006 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.35 -36.51 73.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 55' ' ' ASP . . . -67.27 -32.62 80.26 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 61' ' ' SER . . . 131.46 -45.56 1.12 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 60' ' ' GLY . 1.6 m -35.65 114.14 0.54 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.757 . . . . 0.0 109.978 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.4 Cg_endo -74.97 -39.62 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.492 1.785 . . . . 0.0 111.018 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.572 ' CE1' HG12 ' A' ' 81' ' ' ILE . 14.4 m-30 -112.44 152.7 28.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.1 132.32 20.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.453 ' CG2' HD11 ' A' ' 67' ' ' ILE . 6.7 mt -99.27 141.63 16.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.494 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 0.5 OUTLIER -107.13 127.67 62.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.355 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.469 HG13 ' CG1' ' A' ' 13' ' ' VAL . 4.6 mm -126.13 136.47 60.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 67.4 p -147.71 -148.79 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.424 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -89.55 -62.83 1.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -54.23 -42.9 70.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.246 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.494 ' CE1' ' CG1' ' A' ' 66' ' ' VAL . 6.2 m170 -50.87 -30.58 14.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.586 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -68.31 -47.59 67.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 110.27 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.7 mt -60.43 -49.63 83.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.142 . . . . 0.0 109.256 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 54.9 m-70 -79.98 -4.88 54.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.664 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 71' ' ' HIS . 0.0 OUTLIER 48.7 28.5 1.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.318 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.476 ' O ' ' CD2' ' A' ' 71' ' ' HIS . 1.1 p -115.3 155.72 26.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.025 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.6 p -132.81 175.42 9.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 108.281 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.43 ' HB ' ' CG1' ' A' ' 66' ' ' VAL . 24.0 m -114.98 113.97 24.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.372 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.463 HG13 ' CD2' ' A' ' 100' ' ' LEU . 77.0 t -90.01 110.17 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -108.63 129.49 55.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.572 HG12 ' CE1' ' A' ' 63' ' ' PHE . 41.3 mt -95.57 144.39 10.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 62' ' ' PRO . 12.1 mmt -106.85 -27.24 10.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.95 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.493 ' O ' ' CG2' ' A' ' 81' ' ' ILE . 0.4 OUTLIER -104.92 146.34 29.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.0 -170.12 54.52 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.479 ' CG2' ' HD2' ' A' ' 86' ' ' PRO . 2.7 m -46.67 146.48 2.53 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 0.0 110.373 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.479 ' HD2' ' CG2' ' A' ' 85' ' ' THR . 18.2 Cg_endo -75.03 95.94 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.526 1.803 . . . . 0.0 110.988 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -111.04 133.86 53.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.34 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -128.91 99.9 5.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.56 ' CD2' HD13 ' A' ' 100' ' ' LEU . 68.6 m-70 -86.45 110.51 19.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.629 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -101.18 132.46 46.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.308 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.4 m120 60.88 93.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.453 ' CE ' ' HB3' ' A' ' 96' ' ' ASP . 12.7 mmm -141.35 134.88 14.6 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 139.53 24.32 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.466 1.771 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -38.11 -62.87 0.53 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 110.344 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -38.95 -58.78 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.453 ' HB3' ' CE ' ' A' ' 92' ' ' MET . 0.6 OUTLIER -56.2 -56.55 19.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -46.2 -45.34 16.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.459 ' HE2' ' CG2' ' A' ' 31' ' ' VAL . 32.5 mmt -61.86 -29.43 70.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.952 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.486 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.4 OUTLIER -82.73 -44.32 19.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.56 HD13 ' CD2' ' A' ' 89' ' ' HIS . 0.1 OUTLIER -63.83 -28.5 69.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.503 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.7 OUTLIER -86.91 -49.76 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.503 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -60.42 -30.29 69.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.486 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 2.2 mmm180 -78.86 -57.8 3.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -57.74 -51.94 67.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.501 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 18.5 t80 -41.95 -48.29 4.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -48.37 -63.37 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 70.5 t . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -42.16 -42.05 2.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.488 ' SG ' ' CD1' ' A' ' 65' ' ' ILE . 49.4 t -148.69 110.73 4.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 108.3 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.5 m -96.82 133.29 41.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.042 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.466 HG22 ' CA ' ' A' ' 28' ' ' GLY . 61.6 t -88.47 127.35 41.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.2 mm -107.83 107.82 23.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -118.08 96.9 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.424 ' CG1' HD11 ' A' ' 43' ' ' LEU . 12.2 m -78.74 55.76 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -178.94 -171.12 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -122.35 -43.18 2.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.69 -43.1 1.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.2 p -89.42 52.68 2.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.39 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.452 ' HE3' ' CZ ' ' A' ' 42' ' ' PHE . 7.0 tttt -89.08 -47.9 7.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.77 -46.12 59.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -58.89 -56.88 16.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.08 -42.86 73.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.253 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.516 ' CG ' ' CD2' ' A' ' 40' ' ' LEU . 3.7 mt-10 -59.82 -14.27 14.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.281 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' ARG . 4.6 t -86.67 -67.38 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.468 HG21 ' CG ' ' A' ' 94' ' ' GLN . 0.3 OUTLIER -49.47 -28.67 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.509 ' O ' ' CG1' ' A' ' 38' ' ' VAL . . . -71.45 -27.44 71.38 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.0 OUTLIER -91.61 -31.26 15.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 110.291 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.85 -40.81 61.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.456 ' HB ' ' CG2' ' A' ' 38' ' ' VAL . 52.2 t -70.4 -31.47 46.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.427 ' CZ ' ' HA ' ' A' ' 29' ' ' ARG . 87.9 mtm-85 -69.23 -32.57 71.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.297 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -60.05 -17.39 38.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.38 -12.68 31.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.86 28.56 8.21 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.482 ' HG2' ' CE2' ' A' ' 105' ' ' TYR . 90.8 mtp -112.01 135.06 53.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.769 . . . . 0.0 111.018 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.8 t -66.02 123.66 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.509 ' CG1' ' O ' ' A' ' 28' ' ' GLY . 96.4 t -135.82 152.39 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -143.98 168.38 20.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.516 ' CD2' ' CG ' ' A' ' 25' ' ' GLU . 0.9 OUTLIER -114.69 128.46 56.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.0 mt -112.72 110.93 34.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.452 ' CZ ' ' HE3' ' A' ' 21' ' ' LYS . 40.2 m-85 -97.16 135.54 38.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 111.03 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.424 HD11 ' CG1' ' A' ' 16' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.3 t . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.485 ' CD2' ' C ' ' A' ' 49' ' ' LEU . 0.5 OUTLIER -53.56 -54.79 32.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.405 1.065 . . . . 0.0 109.271 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 96.3 p -48.34 -44.29 34.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.995 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -48.5 -35.05 12.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.306 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.35 -38.17 35.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.434 ' HG ' ' CD2' ' A' ' 49' ' ' LEU . 47.9 mt -63.01 -42.99 99.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.592 1.182 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -60.2 -31.71 70.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.148 . . . . 0.0 110.345 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.45 ' OD1' ' NE ' ' A' ' 58' ' ' ARG . 8.9 t0 -83.61 -22.68 32.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.461 HG11 ' CE ' ' A' ' 82' ' ' MET . 12.2 t -69.21 -41.27 81.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.43 -55.97 5.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.036 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.45 ' NE ' ' OD1' ' A' ' 55' ' ' ASP . 16.1 ptt85 -60.45 -36.69 78.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.407 ' N ' ' CG ' ' A' ' 58' ' ' ARG . . . -65.32 -31.96 82.16 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.125 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 121.62 -28.24 6.02 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.437 ' CB ' HG12 ' A' ' 56' ' ' VAL . 1.0 OUTLIER -39.85 113.39 0.89 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.561 0.801 . . . . 0.0 110.018 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.414 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.4 Cg_endo -75.01 -38.26 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.49 1.784 . . . . 0.0 111.048 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.557 ' CD1' HG12 ' A' ' 81' ' ' ILE . 13.8 m-30 -114.99 152.32 32.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 111.064 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.33 123.05 14.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.488 ' CD1' ' SG ' ' A' ' 11' ' ' CYS . 7.1 mt -95.34 133.33 36.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.243 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.683 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 0.8 OUTLIER -101.32 125.62 55.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.462 HG13 ' CG1' ' A' ' 13' ' ' VAL . 4.3 mm -125.35 155.38 34.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.506 ' CG2' ' N ' ' A' ' 69' ' ' GLN . 0.6 OUTLIER -178.9 -170.21 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.391 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.506 ' N ' ' CG2' ' A' ' 68' ' ' THR . 80.4 mt-30 -57.05 -65.17 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.26 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 71' ' ' HIS . 0.2 OUTLIER -51.49 -62.23 1.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.287 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.683 ' CE1' ' CG1' ' A' ' 66' ' ' VAL . 38.7 m80 -39.11 -39.03 0.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.612 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -60.15 -58.14 9.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 11.0 mt -51.03 -69.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -56.08 -19.9 14.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.618 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 71' ' ' HIS . 0.0 OUTLIER 65.12 25.83 12.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 32.5 m -122.69 146.95 47.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.012 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 1.8 p -125.56 175.08 7.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 108.301 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.494 ' CG2' ' HB3' ' A' ' 90' ' ' ARG . 20.3 m -109.89 118.86 37.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.382 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.426 ' N ' ' O ' ' A' ' 89' ' ' HIS . 72.6 t -90.22 113.11 25.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -112.42 128.17 56.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.557 HG12 ' CD1' ' A' ' 63' ' ' PHE . 43.0 mt -94.21 144.35 9.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.461 ' CE ' HG11 ' A' ' 56' ' ' VAL . 13.4 mmt -107.22 -26.83 10.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.983 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.589 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -89.48 149.67 22.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.978 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 58.28 -165.19 7.63 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.468 ' CG2' ' HD2' ' A' ' 86' ' ' PRO . 2.5 m -44.03 146.49 1.08 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.542 0.789 . . . . 0.0 110.411 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.468 ' HD2' ' CG2' ' A' ' 85' ' ' THR . 18.1 Cg_endo -75.04 101.87 1.52 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.533 1.807 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -111.32 120.18 41.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -115.56 116.11 27.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.318 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.426 ' O ' ' N ' ' A' ' 79' ' ' VAL . 60.2 m-70 -116.63 109.39 17.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.6 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.494 ' HB3' ' CG2' ' A' ' 78' ' ' THR . 0.0 OUTLIER -117.94 166.59 12.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.338 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 63.96 16.61 10.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 18.3 mmm -82.77 133.66 48.61 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 111.034 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 94' ' ' GLN . 18.1 Cg_endo -75.03 145.73 31.7 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.45 1.763 . . . . 0.0 110.973 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.468 ' CG ' HG21 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -37.29 -71.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 98' ' ' MET . . . -37.68 -71.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -40.8 -48.79 3.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.63 -46.25 81.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -62.06 -23.44 66.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.416 ' CG1' ' N ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -86.24 -48.37 15.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.416 ' N ' ' CG1' ' A' ' 99' ' ' VAL . 0.0 OUTLIER -59.97 -28.03 67.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.494 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.8 OUTLIER -85.37 -49.63 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.494 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -56.29 -27.91 56.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 104' ' ' ASN . 9.6 mmm-85 -85.28 -72.48 0.48 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 110.301 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 103' ' ' ARG . 7.7 m-80 -39.11 -46.97 1.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.482 ' CE2' ' HG2' ' A' ' 36' ' ' MET . 2.8 t80 -46.81 -60.25 2.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.974 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -56.23 -39.52 72.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 179.953 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.417 HG13 ' N ' ' A' ' 10' ' ' ASP . 73.4 t . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.417 ' N ' HG13 ' A' ' 9' ' ' VAL . 2.8 m-20 -72.0 -45.54 60.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.4 t -149.0 104.88 3.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 108.321 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.7 m -86.55 139.99 30.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.034 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.452 ' CG1' HG13 ' A' ' 67' ' ' ILE . 87.6 t -99.64 120.6 49.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.431 ' CG2' HD21 ' A' ' 49' ' ' LEU . 2.7 mm -99.18 117.37 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -123.59 103.25 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.237 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.459 ' CG1' HD13 ' A' ' 43' ' ' LEU . 28.6 m -86.69 60.56 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 16' ' ' VAL . 2.5 m-80 172.67 -178.75 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.53 -42.86 3.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -45.0 -45.11 10.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.282 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.469 ' CG2' ' HB2' ' A' ' 72' ' ' GLN . 1.3 p -86.16 49.46 1.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.16 . . . . 0.0 110.347 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -86.9 -54.98 4.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -64.84 -50.96 64.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -51.8 -57.27 9.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.72 -39.09 79.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.524 ' CG ' ' CD2' ' A' ' 40' ' ' LEU . 2.5 mt-10 -62.01 -13.12 22.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 29' ' ' ARG . 5.7 t -89.01 -66.51 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.99 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.406 HG21 ' NE2' ' A' ' 94' ' ' GLN . 0.3 OUTLIER -43.16 -30.76 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.158 . . . . 0.0 109.302 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.92 -43.24 83.48 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.138 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.505 ' CG ' ' N ' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -68.84 -42.35 77.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 0.0 110.354 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.505 ' N ' ' CG ' ' A' ' 29' ' ' ARG . 0.2 OUTLIER -46.48 -42.43 15.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.455 ' HB ' ' CG2' ' A' ' 38' ' ' VAL . 51.2 t -69.12 -34.53 63.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 29' ' ' ARG . 7.4 mtm180 -68.67 -31.82 71.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -60.67 -17.54 48.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.16 -11.46 35.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.81 28.72 8.61 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.464 1.102 . . . . 0.0 111.022 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.549 ' SD ' ' CD2' ' A' ' 105' ' ' TYR . 90.0 mtp -113.45 132.19 55.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.53 123.47 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.455 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 73.8 t -133.31 149.2 31.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.137 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -140.83 168.61 19.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.524 ' CD2' ' CG ' ' A' ' 25' ' ' GLU . 0.9 OUTLIER -116.73 127.91 54.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.472 ' CG2' HD23 ' A' ' 43' ' ' LEU . 19.8 mt -114.0 110.4 31.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -96.83 133.55 41.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.472 HD23 ' CG2' ' A' ' 41' ' ' ILE . 1.3 mt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.431 HD21 ' CG2' ' A' ' 14' ' ' ILE . 0.5 OUTLIER -58.8 -59.36 5.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 53' ' ' LEU . 83.1 p -44.96 -56.98 4.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.023 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -40.82 -32.15 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -88.35 -41.3 12.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 50' ' ' SER . 57.9 mt -58.18 -48.37 80.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -56.97 -30.08 63.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.272 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.401 ' HA ' ' CD ' ' A' ' 58' ' ' ARG . 54.9 t0 -82.51 -32.27 28.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.0 t -58.13 -59.13 3.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 60' ' ' GLY . 0.0 OUTLIER -59.0 -63.37 1.33 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.415 1.072 . . . . 0.0 109.99 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.409 ' CG ' ' N ' ' A' ' 59' ' ' GLY . 19.1 ptt180 -48.41 -36.0 13.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.409 ' N ' ' CG ' ' A' ' 58' ' ' ARG . . . -69.66 -25.94 74.99 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.133 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 57' ' ' SER . . . 113.59 -24.8 11.72 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.7 m -39.65 115.42 1.04 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.54 0.788 . . . . 0.0 110.007 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -44.68 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.779 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.454 ' CE1' HG12 ' A' ' 81' ' ' ILE . 11.7 m-30 -115.5 147.21 40.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -139.37 126.84 21.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.424 ' CG2' HD11 ' A' ' 67' ' ' ILE . 9.0 mt -94.75 137.22 23.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.475 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 0.5 OUTLIER -102.39 128.65 54.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.581 1.176 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.452 HG13 ' CG1' ' A' ' 13' ' ' VAL . 4.1 mm -126.66 146.04 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.6 t -172.29 154.94 3.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.414 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -41.02 -63.81 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.279 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -42.44 -49.11 5.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.32 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.475 ' CE1' ' CG1' ' A' ' 66' ' ' VAL . 6.9 m170 -57.17 -54.44 46.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.635 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.469 ' HB2' ' CG2' ' A' ' 20' ' ' THR . 0.8 OUTLIER -38.67 -40.74 0.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.266 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.6 mt -63.62 -52.21 60.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.43 ' N ' ' O ' ' A' ' 71' ' ' HIS . 64.6 m-70 -75.83 -2.15 28.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.611 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 71' ' ' HIS . 0.0 OUTLIER 48.05 26.98 1.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.2 p -124.32 156.08 37.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.7 p -128.08 175.54 8.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 108.294 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.467 ' HB ' ' CG1' ' A' ' 66' ' ' VAL . 93.5 m -116.92 120.23 37.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.414 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.435 HG11 ' CD2' ' A' ' 100' ' ' LEU . 61.6 t -90.71 116.27 31.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.2 116.23 29.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.454 HG12 ' CE1' ' A' ' 63' ' ' PHE . 27.2 mt -83.93 146.12 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 7.2 mmt -114.93 -27.68 7.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.593 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -91.16 150.09 21.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 53.66 -154.18 7.7 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.489 1.118 . . . . 0.0 110.963 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.404 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 3.1 m -49.93 129.27 21.74 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.515 0.774 . . . . 0.0 110.405 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 85' ' ' THR . 18.3 Cg_endo -75.03 97.85 1.11 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.503 1.791 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -109.45 115.05 29.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -108.05 97.63 7.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.438 1.086 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.469 ' CD2' HD13 ' A' ' 100' ' ' LEU . 21.8 m-70 -81.64 115.47 20.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.574 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.0 mtp85 -102.25 135.32 44.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.292 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 30.4 m-20 63.47 87.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 19.9 mmm -139.0 130.97 15.41 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 94' ' ' GLN . 18.2 Cg_endo -75.0 143.12 28.68 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.511 1.795 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -38.35 -64.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 110.285 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -38.24 -63.99 0.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -53.95 -49.78 67.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -50.49 -44.13 55.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.43 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 29.9 mmt -63.97 -27.67 69.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -83.05 -44.91 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.469 HD13 ' CD2' ' A' ' 89' ' ' HIS . 0.0 OUTLIER -63.27 -28.08 69.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.504 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.8 OUTLIER -87.65 -49.6 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.504 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -58.51 -37.09 74.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 9.9 mmm-85 -71.74 -69.17 0.4 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 110.251 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -44.51 -57.84 3.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.549 ' CD2' ' SD ' ' A' ' 36' ' ' MET . 2.9 t80 -40.54 -53.58 2.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -49.6 -70.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.253 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 10' ' ' ASP . 51.5 t . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 9' ' ' VAL . 0.4 OUTLIER -40.7 -48.16 2.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.352 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.4 t -148.89 104.83 3.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 108.314 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.83 145.47 24.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.0 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.405 ' CG1' HG13 ' A' ' 67' ' ' ILE . 95.3 t -97.74 129.7 47.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.472 ' CG2' HD21 ' A' ' 49' ' ' LEU . 2.8 mm -109.21 103.62 15.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.437 ' CG2' ' OG1' ' A' ' 20' ' ' THR . 1.4 p -112.69 97.07 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.314 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.0 m -72.79 -44.05 59.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.449 ' ND2' ' NE2' ' A' ' 69' ' ' GLN . 8.5 m120 -65.83 130.09 42.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -86.42 49.35 1.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 21' ' ' LYS . 0.6 OUTLIER -138.85 -47.39 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.437 ' OG1' ' CG2' ' A' ' 15' ' ' VAL . 41.5 p -69.71 59.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.422 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.47 ' HE3' ' CZ ' ' A' ' 42' ' ' PHE . 3.3 tttt -88.76 -34.89 16.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -90.33 -24.83 20.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.574 ' CE2' ' HA ' ' A' ' 72' ' ' GLN . 11.2 t80 -79.88 -53.21 6.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 111.044 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.98 -38.99 87.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.493 ' CG ' HD22 ' A' ' 40' ' ' LEU . 4.1 mt-10 -60.36 -13.99 16.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 29' ' ' ARG . 3.7 t -87.1 -69.37 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.045 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -49.59 -28.52 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.494 ' O ' ' CG1' ' A' ' 38' ' ' VAL . . . -70.87 -28.48 70.59 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -91.42 -32.99 15.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 0.781 . . . . 0.0 110.287 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -49.49 -41.13 39.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.453 ' HB ' ' CG2' ' A' ' 38' ' ' VAL . 55.6 t -69.52 -35.08 64.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -65.44 -31.81 73.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -61.14 -18.81 60.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.451 ' CD1' ' HA ' ' A' ' 31' ' ' VAL . 0.5 OUTLIER -91.06 -11.65 38.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.74 28.84 8.56 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.451 1.095 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 95.4 mtp -112.65 134.21 54.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.784 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 45.2 t -65.66 123.1 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 28' ' ' GLY . 80.2 t -135.31 150.66 29.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -141.68 167.67 21.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.493 HD22 ' CG ' ' A' ' 25' ' ' GLU . 1.1 mp -113.43 128.55 56.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.8 mt -115.3 104.7 17.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.47 ' CZ ' ' HE3' ' A' ' 21' ' ' LYS . 49.9 m-85 -91.27 125.23 35.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.472 HD21 ' CG2' ' A' ' 14' ' ' ILE . 0.9 OUTLIER -63.64 -58.04 8.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 53' ' ' LEU . 66.4 p -41.5 -55.0 2.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.965 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 50' ' ' SER . 0.8 OUTLIER -38.57 -37.97 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 110.263 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.45 -44.6 17.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.137 . . . . 0.0 109.305 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 50' ' ' SER . 67.2 mt -57.27 -39.92 76.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.143 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -61.81 -32.44 72.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.287 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -84.6 -29.39 25.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.433 ' CG1' ' HB3' ' A' ' 61' ' ' SER . 79.5 t -60.39 -51.21 75.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 109.251 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 60' ' ' GLY . 0.3 OUTLIER -63.8 -64.07 0.99 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.155 . . . . 0.0 110.023 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.414 ' CG ' ' N ' ' A' ' 59' ' ' GLY . 2.5 ptm180 -48.17 -36.38 13.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.414 ' N ' ' CG ' ' A' ' 58' ' ' ARG . . . -67.1 -28.74 73.85 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 57' ' ' SER . . . 119.34 -28.29 6.61 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.433 ' HB3' ' CG1' ' A' ' 56' ' ' VAL . 0.4 OUTLIER -40.51 111.7 0.8 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 109.997 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.421 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.2 Cg_endo -75.01 -41.28 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.509 1.794 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.507 ' CD1' HG12 ' A' ' 81' ' ' ILE . 14.8 m-30 -112.9 147.25 37.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.55 124.75 16.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.417 ' CG2' HD12 ' A' ' 67' ' ' ILE . 30.1 mt -95.09 138.44 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.457 ' CG1' ' HB ' ' A' ' 78' ' ' THR . 0.5 OUTLIER -102.97 130.92 52.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.417 HD12 ' CG2' ' A' ' 65' ' ' ILE . 3.4 mm -129.52 141.27 46.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 44.8 p -149.62 -147.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.377 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.449 ' NE2' ' ND2' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -90.03 -56.83 3.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -59.5 -46.64 88.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.444 ' CE1' ' CG1' ' A' ' 66' ' ' VAL . 29.7 m170 -49.38 -32.09 10.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.569 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.574 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 4.5 tt0 -66.88 -46.15 75.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.278 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.4 mt -68.25 -50.49 57.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -70.97 -15.16 62.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.583 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 71' ' ' HIS . 2.4 mmm180 59.23 25.48 14.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.337 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.422 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 1.1 p -120.53 143.26 48.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.023 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.7 p -122.61 175.54 6.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 108.323 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.457 ' HB ' ' CG1' ' A' ' 66' ' ' VAL . 50.7 m -115.44 115.03 25.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 86.6 t -90.37 118.61 35.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -117.16 121.08 40.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.507 HG12 ' CD1' ' A' ' 63' ' ' PHE . 39.3 mt -86.45 144.47 9.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 62' ' ' PRO . 11.0 mmt -106.26 -27.14 11.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.549 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -102.02 151.14 22.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.953 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.62 -175.83 36.66 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 110.972 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.477 ' CG2' ' HD2' ' A' ' 86' ' ' PRO . 2.6 m -41.11 146.44 0.5 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.542 0.79 . . . . 0.0 110.45 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 85' ' ' THR . 18.4 Cg_endo -74.99 101.14 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.513 1.796 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -115.46 120.65 40.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -114.02 109.0 17.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.562 ' CD2' HD12 ' A' ' 100' ' ' LEU . 82.8 m-70 -95.64 111.81 23.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.591 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -100.65 139.18 36.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.282 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 51.34 96.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.465 ' CE ' ' HB3' ' A' ' 96' ' ' ASP . 14.3 mmm -140.92 133.34 14.24 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 94' ' ' GLN . 18.4 Cg_endo -74.98 140.6 25.69 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.472 1.775 . . . . 0.0 111.025 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.3 OUTLIER -37.08 -66.37 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -37.29 -57.08 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.465 ' HB3' ' CE ' ' A' ' 92' ' ' MET . 0.4 OUTLIER -54.22 -60.65 3.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -44.87 -47.5 11.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.451 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 31.3 mmt -58.57 -32.59 69.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 111.038 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 96' ' ' ASP . 0.4 OUTLIER -81.5 -43.36 20.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.562 HD12 ' CD2' ' A' ' 89' ' ' HIS . 0.1 OUTLIER -65.18 -29.49 70.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.493 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.7 OUTLIER -85.97 -49.06 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.493 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -60.74 -35.85 77.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 103' ' ' ARG . 1.4 mmm180 -72.85 -62.13 1.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 110.329 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 100' ' ' LEU . 3.8 m-80 -51.58 -54.09 31.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.46 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 8.8 t80 -40.55 -54.14 2.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -44.96 -56.94 4.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.6 t . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -41.32 -41.17 1.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.8 t -148.94 111.46 4.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 108.302 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.7 m -96.76 134.03 40.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 109.999 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.454 HG23 ' CA ' ' A' ' 28' ' ' GLY . 70.5 t -91.74 122.46 43.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.452 ' CG2' HD22 ' A' ' 49' ' ' LEU . 2.0 mm -104.68 99.58 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -110.75 99.59 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' A' ' 16' ' ' VAL . 10.7 m -79.72 61.23 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 173.44 176.27 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 109.306 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -113.72 -34.49 5.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.424 ' NE2' ' O ' ' A' ' 19' ' ' GLN . 0.1 OUTLIER -49.36 -48.34 46.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 110.32 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.39 55.16 3.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.388 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.511 ' O ' ' CG ' ' A' ' 25' ' ' GLU . 3.3 tttt -88.57 -69.14 0.72 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -47.84 -43.84 28.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -58.87 -65.79 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.142 . . . . 0.0 111.029 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.96 -40.69 44.69 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.56 1.162 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 4.2 mm-40 -54.5 -27.77 40.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 0.0 110.265 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 29' ' ' ARG . 6.1 t -77.05 -65.06 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.996 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -49.18 -29.22 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.466 ' O ' ' CG1' ' A' ' 38' ' ' VAL . . . -77.6 -27.81 58.46 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -91.74 -27.81 17.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 0.737 . . . . 0.0 110.283 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.8 mmtt -59.6 -36.72 76.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.471 ' HB ' ' CG2' ' A' ' 38' ' ' VAL . 74.2 t -72.09 -28.59 30.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -72.23 -32.12 66.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -59.95 -19.78 53.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.12 -11.2 44.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.46 21.66 23.85 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.545 1.153 . . . . 0.0 111.025 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 91.5 mtp -105.1 136.05 45.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 0.762 . . . . 0.0 111.044 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.2 t -66.51 123.01 18.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.471 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 97.4 t -132.66 148.86 31.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -135.91 168.32 19.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.283 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.492 ' CD2' ' HG2' ' A' ' 25' ' ' GLU . 0.3 OUTLIER -121.42 123.93 43.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.7 mt -111.97 114.09 46.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.479 ' CE2' HD21 ' A' ' 40' ' ' LEU . 37.5 m-85 -99.43 125.99 45.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 111.052 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.251 -179.942 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.0 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.452 HD22 ' CG2' ' A' ' 14' ' ' ILE . 0.5 OUTLIER -70.01 -59.3 2.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 95.4 p -43.09 -45.31 5.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 109.955 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -47.44 -36.29 9.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.286 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.68 -40.89 32.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.2 mt -60.92 -32.19 71.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -69.36 -30.57 68.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 110.325 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -83.36 -24.63 31.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.443 HG11 ' CB ' ' A' ' 61' ' ' SER . 69.5 t -65.93 -51.08 65.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.83 -61.4 2.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.006 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.414 ' HG2' ' N ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER -54.99 -36.53 65.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.414 ' N ' ' HG2' ' A' ' 58' ' ' ARG . . . -66.88 -29.65 74.97 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.63 -29.03 6.23 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.443 ' CB ' HG11 ' A' ' 56' ' ' VAL . 0.9 OUTLIER -39.03 115.27 0.92 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.482 0.754 . . . . 0.0 110.004 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.421 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.4 Cg_endo -74.93 -40.92 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.524 1.802 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.522 ' CD1' HG12 ' A' ' 81' ' ' ILE . 11.4 m-30 -116.65 153.43 32.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.91 123.35 13.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.468 ' CG2' HD11 ' A' ' 67' ' ' ILE . 15.5 mt -94.82 132.94 37.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.531 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 0.8 OUTLIER -101.38 132.66 46.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.468 HD11 ' CG2' ' A' ' 65' ' ' ILE . 4.4 mm -126.32 154.82 36.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.446 HG21 ' CG ' ' A' ' 71' ' ' HIS . 3.7 t -175.13 162.86 3.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.397 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.1 -64.77 0.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 73' ' ' ILE . 1.1 tp60 -51.09 -58.57 5.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.531 ' CE1' ' CG1' ' A' ' 66' ' ' VAL . 16.0 m170 -42.65 -31.1 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.649 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -71.37 -46.32 60.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 70' ' ' GLN . 14.7 mt -63.06 -40.18 88.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -89.08 -4.86 58.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.599 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 71' ' ' HIS . 5.8 mtp180 49.87 29.86 3.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.501 ' O ' ' CD2' ' A' ' 71' ' ' HIS . 1.1 p -122.55 143.3 49.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.04 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.436 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 1.8 p -124.62 174.2 8.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.128 . . . . 0.0 108.294 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 40.1 m -112.45 112.66 24.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.421 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 92.0 t -90.37 114.08 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.359 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -112.65 126.69 55.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.522 HG12 ' CD1' ' A' ' 63' ' ' PHE . 22.3 mt -88.54 145.77 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 62' ' ' PRO . 7.0 mmt -112.78 -27.88 7.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.591 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -94.97 151.72 18.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.982 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 52.61 -159.56 3.14 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.2 m -45.76 119.23 4.59 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 0.0 110.396 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 105.18 2.03 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.499 1.789 . . . . 0.0 110.998 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -110.77 120.34 42.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -97.33 104.32 16.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.568 1.168 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.401 ' CE1' HD13 ' A' ' 100' ' ' LEU . 84.9 m-70 -90.98 111.14 22.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.628 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -99.02 131.17 45.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 110.256 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 54.48 100.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 14.7 mmm -138.43 137.35 20.29 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 94' ' ' GLN . 18.3 Cg_endo -74.96 139.53 24.51 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.543 1.812 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -38.32 -68.71 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.266 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 98' ' ' MET . . . -38.39 -68.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -47.39 -41.69 20.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 94' ' ' GLN . . . -60.56 -35.46 76.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 95' ' ' ALA . 31.6 mmt -73.72 -31.79 63.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.501 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.4 OUTLIER -79.79 -40.19 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.418 ' N ' HG13 ' A' ' 99' ' ' VAL . 0.1 OUTLIER -65.99 -32.76 74.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.7 OUTLIER -83.48 -48.12 17.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.475 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -61.07 -32.21 71.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.501 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 7.3 mmm-85 -75.54 -69.09 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 110.249 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -44.89 -49.83 10.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.44 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 17.4 t80 -43.36 -55.63 3.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -44.4 -55.66 4.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.35 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -161.48 -58.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 109.987 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 m -147.68 -58.62 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.955 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.73 97.54 0.67 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.477 1.11 . . . . 0.0 110.963 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.73 -57.35 3.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 0.735 . . . . 0.0 109.994 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.5 -56.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 109.988 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.16 -163.88 30.63 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.527 1.142 . . . . 0.0 111.052 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 138.5 23.08 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.498 1.789 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.409 HG12 ' N ' ' A' ' 12' ' ' SER . 93.6 t -101.53 114.31 40.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -44.11 -44.96 7.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.152 . . . . 0.0 109.363 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 49.7 t -146.37 101.64 3.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 108.301 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.409 ' N ' HG12 ' A' ' 9' ' ' VAL . 0.5 OUTLIER -87.81 137.84 31.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.178 . . . . 0.0 110.022 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 73.3 t -97.65 126.67 50.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.43 HG23 ' CD2' ' A' ' 49' ' ' LEU . 3.9 mm -103.29 116.69 47.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.465 ' CG2' ' O ' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -132.07 99.91 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.3 m -69.96 -43.85 79.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.355 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.465 ' O ' ' CG2' ' A' ' 15' ' ' VAL . 0.6 OUTLIER -76.86 169.46 18.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -104.07 -45.17 4.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.12 -39.09 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.7 p -85.35 49.25 1.72 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.439 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -86.83 -40.66 14.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -81.17 -54.44 5.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.502 ' CE2' ' HA ' ' A' ' 72' ' ' GLN . 2.3 t80 -48.95 -42.58 37.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.54 -33.27 62.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -14.4 17.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.32 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 29' ' ' ARG . 8.9 t -91.37 -67.28 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.96 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 26' ' ' SER . 0.3 OUTLIER -39.38 -34.19 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.404 ' N ' ' C ' ' A' ' 26' ' ' SER . . . -72.52 -48.83 21.73 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.551 1.157 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.3 ptt180 -67.01 -29.79 69.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 0.742 . . . . 0.0 110.34 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -58.88 -43.85 91.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.344 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.45 HG11 ' CG2' ' A' ' 38' ' ' VAL . 99.5 t -68.51 -25.54 31.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -75.08 -32.3 61.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -61.59 -18.1 57.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.403 ' CD1' ' HA ' ' A' ' 31' ' ' VAL . 0.8 OUTLIER -89.98 -12.5 38.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.35 26.47 10.06 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.418 ' CE ' ' HB2' ' A' ' 105' ' ' TYR . 74.6 mtp -112.05 133.46 54.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 0.726 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 49.2 t -65.76 126.44 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.45 ' CG2' HG11 ' A' ' 31' ' ' VAL . 84.2 t -134.85 148.5 29.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -137.1 168.34 19.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.03 126.29 51.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 21.2 mt -109.89 112.07 38.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -99.47 124.19 44.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.56 59.57 0.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -64.29 92.25 0.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 54.9 m 52.61 42.63 31.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 110.385 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.471 ' O ' ' CG2' ' A' ' 47' ' ' VAL . 0.5 OUTLIER -139.57 133.02 30.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 46' ' ' GLU . 7.7 m 48.66 -156.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.8 m -137.08 -179.29 5.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.974 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.43 ' CD2' HG23 ' A' ' 14' ' ' ILE . 0.8 OUTLIER -62.09 -58.84 6.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 53' ' ' LEU . 0.7 OUTLIER -42.19 -55.05 3.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.996 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -41.66 -36.97 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.334 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.79 -41.18 23.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.273 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 50' ' ' SER . 80.0 mt -59.09 -38.22 78.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -64.43 -40.03 94.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 0.0 110.257 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.471 ' HA ' ' CD ' ' A' ' 58' ' ' ARG . 14.7 t0 -76.3 -25.48 54.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.455 HG12 ' CB ' ' A' ' 61' ' ' SER . 19.0 t -62.45 -53.39 47.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.087 . . . . 0.0 109.245 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.48 -61.94 1.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.003 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.471 ' CD ' ' HA ' ' A' ' 55' ' ' ASP . 0.2 OUTLIER -49.94 -34.09 19.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.318 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -71.28 -30.29 67.36 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 120.9 -27.89 6.32 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.455 ' CB ' HG12 ' A' ' 56' ' ' VAL . 0.5 OUTLIER -41.33 108.99 0.61 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 110.02 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.1 Cg_endo -75.03 -37.04 2.19 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.478 1.778 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.567 ' CD1' HG12 ' A' ' 81' ' ' ILE . 10.7 m-30 -116.58 135.93 53.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -129.09 123.47 32.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 11.1 mt -95.1 137.86 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.638 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 0.5 OUTLIER -104.81 130.15 56.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.8 mm -127.01 151.31 33.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.583 1.177 . . . . 0.0 109.289 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.419 HG21 ' ND1' ' A' ' 71' ' ' HIS . 1.6 t -175.83 161.63 2.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 110.39 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.43 ' O ' ' CB ' ' A' ' 72' ' ' GLN . 1.4 mt-30 -38.51 -65.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 73' ' ' ILE . 2.3 mt-30 -47.68 -60.8 2.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 110.339 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.638 ' CE1' ' CG1' ' A' ' 66' ' ' VAL . 18.7 m170 -43.06 -31.72 0.58 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.613 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.502 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 3.0 tt0 -63.63 -48.77 75.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' A' ' 70' ' ' GLN . 5.9 mt -60.68 -66.38 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.25 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -57.85 -22.52 48.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.634 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 71' ' ' HIS . 2.8 mtp180 63.39 42.26 6.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.553 ' O ' ' CD2' ' A' ' 71' ' ' HIS . 17.2 p -137.56 143.42 41.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.959 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.9 p -118.88 174.97 5.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.08 . . . . 0.0 108.328 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.7 m -114.91 112.45 22.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.437 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 99.3 t -89.89 110.62 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -112.71 114.2 26.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.567 HG12 ' CD1' ' A' ' 63' ' ' PHE . 27.5 mt -75.72 149.65 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 62' ' ' PRO . 13.8 mmt -113.54 -21.16 10.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -106.73 151.89 24.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 111.02 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 67.0 -172.96 28.73 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.456 1.098 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.468 ' CG2' ' HD2' ' A' ' 86' ' ' PRO . 2.5 m -38.77 146.51 0.31 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.489 0.758 . . . . 0.0 110.366 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.468 ' HD2' ' CG2' ' A' ' 85' ' ' THR . 18.3 Cg_endo -75.05 92.6 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.486 1.782 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -108.17 114.74 28.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -112.01 105.25 13.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.584 ' CE1' ' CD1' ' A' ' 100' ' ' LEU . 59.5 m-70 -88.95 111.34 21.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.591 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.1 mtm105 -102.92 132.04 49.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.28 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 58.87 94.46 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.407 1.067 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.466 ' CE ' ' HB3' ' A' ' 96' ' ' ASP . 12.6 mmm -141.49 134.9 14.47 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 140.05 25.1 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.473 1.775 . . . . 0.0 111.027 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -38.16 -62.96 0.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -39.9 -55.06 2.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.466 ' HB3' ' CE ' ' A' ' 92' ' ' MET . 0.2 OUTLIER -57.78 -59.03 5.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 109.274 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -45.48 -46.23 13.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.256 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.437 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 34.9 mmt -59.2 -31.26 68.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 111.037 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 96' ' ' ASP . 0.4 OUTLIER -82.5 -44.16 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.421 1.075 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.584 ' CD1' ' CE1' ' A' ' 89' ' ' HIS . 0.0 OUTLIER -64.35 -27.83 69.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.465 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.6 OUTLIER -87.71 -47.53 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.267 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.465 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -63.28 -33.08 74.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.438 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 6.8 mmm180 -75.16 -62.02 1.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -50.57 -55.95 13.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.506 ' CE1' ' HD3' ' A' ' 109' ' ' LYS . 21.9 t80 -38.72 -56.57 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -43.75 -55.55 4.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 110' ' ' ASN . 2.1 ttt180 -64.27 -55.34 22.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -41.3 -43.92 2.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.506 ' HD3' ' CE1' ' A' ' 105' ' ' TYR . 0.3 OUTLIER -63.23 -46.11 88.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 107' ' ' ARG . 19.3 m-20 -49.86 -32.88 15.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -93.3 -23.85 18.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 20.5 t -68.19 -70.39 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 108.293 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.01 -60.68 0.99 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 71.24 -62.22 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.275 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -174.82 166.41 3.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.257 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.26 97.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.261 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 58.44 110.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.33 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -45.09 169.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.259 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -50.84 -37.93 46.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 3.5 mt -50.26 126.57 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -124.81 55.51 1.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -172.58 128.84 0.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.251 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -101.59 -58.91 1.79 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . 43.28 66.28 0.82 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 56.7 m 58.87 113.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.03 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -97.16 -162.23 31.85 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 111.044 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 168.98 23.63 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.474 1.776 . . . . 0.0 110.945 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.1 m 51.25 98.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.959 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.86 -57.52 0.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.0 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.455 1.097 . . . . 0.0 111.01 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -112.43 135.62 52.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 0.737 . . . . 0.0 109.965 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.7 -58.6 2.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.016 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.27 129.14 5.41 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -168.58 91.94 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 0.742 . . . . 0.0 109.992 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m -129.55 -56.86 1.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.007 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.16 176.66 32.49 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.441 1.088 . . . . 0.0 111.013 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 158.04 42.47 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.529 1.805 . . . . 0.0 110.996 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.3 t -138.62 122.77 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.6 -45.94 27.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.0 t -148.97 108.19 3.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 108.292 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.49 126.71 36.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.0 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 90.4 t -87.49 129.0 39.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.426 ' CG2' HD22 ' A' ' 49' ' ' LEU . 2.8 mm -106.18 107.62 23.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -120.42 104.26 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.418 ' CG1' HD13 ' A' ' 43' ' ' LEU . 35.6 m -80.68 -31.07 12.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -79.64 135.49 36.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.414 ' CD ' ' HB3' ' A' ' 44' ' ' ASN . 1.6 tptt -92.44 21.02 5.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.82 -35.82 5.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.339 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.3 p -83.66 51.59 2.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.432 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.518 ' HE3' ' CZ ' ' A' ' 42' ' ' PHE . 11.3 tttt -84.34 -47.36 10.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -70.47 -22.73 62.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -86.37 -60.81 1.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.97 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.68 -43.03 57.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.483 ' CG ' HD22 ' A' ' 40' ' ' LEU . 33.2 mt-10 -59.14 -15.8 16.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 29' ' ' ARG . 5.8 t -84.86 -69.58 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.013 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 26' ' ' SER . 0.3 OUTLIER -40.33 -31.14 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.424 ' N ' ' C ' ' A' ' 26' ' ' SER . . . -74.01 -47.98 17.25 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 26' ' ' SER . 0.7 OUTLIER -65.87 -26.75 67.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.6 0.824 . . . . 0.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.0 mmtt -64.77 -39.73 94.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.452 ' HB ' ' CG2' ' A' ' 38' ' ' VAL . 71.9 t -72.75 -28.81 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -72.5 -31.93 65.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -60.24 -18.13 46.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -90.73 -11.54 39.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.79 23.8 14.77 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.529 1.143 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.409 ' SD ' ' CG ' ' A' ' 105' ' ' TYR . 93.8 mtp -106.96 134.5 50.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 0.784 . . . . 0.0 111.03 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 51.2 t -67.07 122.12 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.452 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 60.2 t -130.77 150.33 34.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -139.6 168.21 20.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.483 HD22 ' CG ' ' A' ' 25' ' ' GLU . 1.2 mp -119.99 128.32 53.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.6 mt -112.58 105.81 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.518 ' CZ ' ' HE3' ' A' ' 21' ' ' LYS . 46.4 m-85 -92.66 126.94 37.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.418 HD13 ' CG1' ' A' ' 16' ' ' VAL . 2.9 mt -120.4 69.93 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.414 ' HB3' ' CD ' ' A' ' 18' ' ' LYS . 14.8 p-10 -94.6 89.39 5.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.6 m 58.47 50.97 8.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.403 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -129.56 -66.49 0.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.328 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 30.7 m -139.17 -178.62 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.138 . . . . 0.0 109.296 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.1 m -97.0 171.53 8.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.999 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.426 HD22 ' CG2' ' A' ' 14' ' ' ILE . 0.6 OUTLIER -56.49 -61.67 2.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.4 p -43.0 -50.87 5.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -42.83 -32.93 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.497 ' O ' ' CG2' ' A' ' 56' ' ' VAL . . . -87.36 -42.17 13.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 48.3 mt -57.47 -32.73 67.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -66.5 -54.37 24.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 110.304 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.448 ' HA ' ' CD ' ' A' ' 58' ' ' ARG . 25.6 t0 -64.32 -27.16 68.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 109.286 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 52' ' ' ALA . 46.6 t -59.5 -65.24 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -61.6 2.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.072 . . . . 0.0 109.996 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.448 ' CD ' ' HA ' ' A' ' 55' ' ' ASP . 3.8 ptm180 -49.59 -36.59 24.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 55' ' ' ASP . . . -67.82 -24.85 74.28 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 115.48 -23.01 11.47 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.418 ' CB ' HG13 ' A' ' 56' ' ' VAL . 5.7 m -42.32 112.61 1.12 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.776 . . . . 0.0 110.036 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.422 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.3 Cg_endo -74.98 -44.21 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.48 1.779 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.562 ' CD1' HG12 ' A' ' 81' ' ' ILE . 10.7 m-30 -113.63 144.71 42.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -138.46 123.11 18.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.245 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.6 mt -94.91 141.15 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.463 ' CG1' ' HB ' ' A' ' 78' ' ' THR . 0.5 OUTLIER -104.41 126.95 59.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 6.3 mm -121.94 125.47 73.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 68.1 p -135.27 -161.13 1.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 110.434 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -79.23 -65.09 1.04 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.419 ' C ' ' N ' ' A' ' 72' ' ' GLN . 2.9 tp60 -53.03 -47.51 68.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.453 ' O ' ' N ' ' A' ' 75' ' ' ARG . 8.9 m170 -44.3 -26.87 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.59 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.419 ' N ' ' C ' ' A' ' 70' ' ' GLN . 2.0 tt0 -72.09 -54.62 9.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.0 mt -57.5 -38.34 62.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -85.13 -17.31 37.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.586 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 71' ' ' HIS . 3.7 mtp180 58.98 31.57 21.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.244 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.446 ' O ' ' CD2' ' A' ' 71' ' ' HIS . 1.1 p -123.21 147.14 47.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.952 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.4 p -122.9 175.51 6.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 108.292 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.463 ' HB ' ' CG1' ' A' ' 66' ' ' VAL . 53.1 m -116.51 117.84 31.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.417 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.451 ' CG1' HD22 ' A' ' 100' ' ' LEU . 57.3 t -89.76 121.96 40.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -124.84 102.67 7.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.341 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.562 HG12 ' CD1' ' A' ' 63' ' ' PHE . 25.5 mt -72.41 146.55 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.473 ' HE2' ' CG1' ' A' ' 56' ' ' VAL . 9.3 mmt -110.03 -26.68 9.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.503 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -104.86 151.84 23.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.54 -156.66 51.19 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.424 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 1.4 m -62.15 144.52 94.39 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.767 . . . . 0.0 110.363 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 85' ' ' THR . 18.3 Cg_endo -75.02 110.37 3.1 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 110.994 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -126.87 108.87 11.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.343 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -104.15 106.95 17.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.329 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.419 ' CD2' HD12 ' A' ' 100' ' ' LEU . 95.2 m-70 -97.06 110.04 22.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.608 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -91.72 132.96 36.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 110.349 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 54.88 92.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 17.0 mtp -125.96 136.61 28.71 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 140.32 25.3 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.485 1.781 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -38.27 -67.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.267 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -38.67 -69.39 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.127 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 99' ' ' VAL . 0.7 OUTLIER -43.97 -56.38 3.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 109.327 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -47.79 -45.55 29.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 34.2 mmt -66.68 -24.98 66.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 111.042 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.459 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.4 OUTLIER -84.22 -47.25 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.451 HD22 ' CG1' ' A' ' 79' ' ' VAL . 0.1 OUTLIER -60.64 -29.76 69.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.488 ' O ' ' CB ' ' A' ' 105' ' ' TYR . 0.8 OUTLIER -84.85 -48.69 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.478 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -62.57 -26.69 68.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.459 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 3.1 mmm180 -82.58 -59.44 2.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -55.37 -52.6 62.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.357 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.504 ' CZ ' ' HD3' ' A' ' 109' ' ' LYS . 18.0 t80 -41.34 -50.14 3.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -49.1 -57.92 5.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.336 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.418 ' HA ' ' ND2' ' A' ' 110' ' ' ASN . 0.0 OUTLIER -52.38 -61.53 2.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.256 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -46.12 -24.79 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.504 ' HD3' ' CZ ' ' A' ' 105' ' ' TYR . 0.7 OUTLIER -85.63 -44.65 12.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.418 ' ND2' ' HA ' ' A' ' 107' ' ' ARG . 54.1 m-20 -48.42 -34.5 11.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -89.61 -25.69 21.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 0.0 110.303 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 13.7 t -72.6 -52.46 15.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 108.3 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.41 -39.59 3.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.52 -49.15 75.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -117.59 63.93 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -175.83 -53.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.364 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 25.0 mtt180 59.46 108.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.279 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -49.93 -179.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -123.23 23.99 8.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 84.2 mt -48.13 123.17 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -141.71 52.97 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.249 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.97 107.61 0.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.33 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.86 119.88 6.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -179.11 135.59 0.13 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.07 136.86 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.99 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 168.0 76.07 0.04 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.457 1.098 . . . . 0.0 111.042 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 175.82 10.71 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.481 1.779 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 29.3 p -175.52 164.91 3.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.009 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.83 155.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.981 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.537 1.148 . . . . 0.0 110.971 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -79.83 -58.39 3.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 110.043 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.76 155.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.6 -115.54 4.11 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.512 1.132 . . . . 0.0 111.035 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m 51.34 87.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 110.015 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.02 151.92 25.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.027 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.62 157.77 40.4 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 134.88 18.35 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.45 1.763 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 84.1 t -134.04 114.28 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.248 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.02 -41.77 1.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.422 ' SG ' ' CD1' ' A' ' 65' ' ' ILE . 19.7 t -147.84 106.64 3.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 108.324 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.67 129.37 38.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.987 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.46 ' CG1' HG13 ' A' ' 67' ' ' ILE . 43.0 t -87.39 132.83 31.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.465 ' CG2' HD22 ' A' ' 49' ' ' LEU . 2.8 mm -112.7 113.5 44.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 17' ' ' ASN . 0.4 OUTLIER -126.16 100.98 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.2 m -77.5 -15.72 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.471 ' O ' ' CG2' ' A' ' 15' ' ' VAL . 33.3 m120 -92.76 152.91 19.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -104.46 6.3 34.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.7 tm0? -97.39 -39.38 9.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.1 p -84.97 54.35 3.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 110.399 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.412 ' HE3' ' CZ ' ' A' ' 42' ' ' PHE . 7.1 tttt -81.8 -50.55 9.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -70.53 -45.03 66.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -56.98 -57.24 13.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.78 -36.32 71.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.509 ' CG ' ' CD2' ' A' ' 40' ' ' LEU . 2.3 mt-10 -66.08 -9.73 33.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.346 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 29' ' ' ARG . 5.2 t -90.94 -71.06 0.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.007 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -41.52 -30.11 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.409 ' N ' ' C ' ' A' ' 26' ' ' SER . . . -74.5 -46.66 18.7 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 111.055 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 26' ' ' SER . 16.5 ptt180 -66.25 -36.94 84.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 0.776 . . . . 0.0 110.299 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.417 ' N ' ' CG ' ' A' ' 29' ' ' ARG . 11.6 mmtt -54.1 -34.81 61.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.457 ' HB ' ' CG2' ' A' ' 38' ' ' VAL . 91.8 t -75.02 -26.49 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -74.69 -31.52 61.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -61.13 -18.79 59.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -88.98 -11.85 43.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.078 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.12 21.16 21.29 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.531 1.144 . . . . 0.0 110.952 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 96.0 mtp -104.89 134.98 47.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 110.959 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.7 t -65.55 121.57 14.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.457 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 34.9 t -128.62 153.29 37.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -146.8 167.6 23.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.509 ' CD2' ' CG ' ' A' ' 25' ' ' GLU . 1.3 mp -119.47 128.46 54.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.7 mt -114.78 105.19 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.412 ' CZ ' ' HE3' ' A' ' 21' ' ' LYS . 50.7 m-85 -89.52 130.16 35.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.2 138.23 53.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -172.48 118.93 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.1 m 42.66 57.74 3.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.423 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -154.61 -66.89 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.7 m -139.95 171.66 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.8 t -97.89 169.43 9.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.974 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.465 HD22 ' CG2' ' A' ' 14' ' ' ILE . 0.8 OUTLIER -50.87 -59.83 3.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.98 -51.25 7.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.31 -34.18 1.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.295 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.48 -40.03 16.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.8 mt -58.85 -42.92 90.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -61.39 -28.63 69.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.455 ' HA ' ' CD ' ' A' ' 58' ' ' ARG . 10.6 t0 -83.58 -26.9 29.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.458 HG11 ' CB ' ' A' ' 61' ' ' SER . 40.8 t -62.31 -44.06 98.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.32 -59.21 2.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.038 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.455 ' CD ' ' HA ' ' A' ' 55' ' ' ASP . 6.3 ptm180 -55.42 -33.86 63.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.264 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.411 ' N ' ' HG2' ' A' ' 58' ' ' ARG . . . -70.4 -32.12 68.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.545 1.153 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 123.68 -32.04 4.39 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.458 ' CB ' HG11 ' A' ' 56' ' ' VAL . 1.0 OUTLIER -39.15 115.9 0.99 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.458 0.74 . . . . 0.0 110.013 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.442 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.3 Cg_endo -74.99 -44.43 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.462 1.77 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.558 ' CE1' HG12 ' A' ' 81' ' ' ILE . 9.5 m-30 -113.08 153.1 28.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 111.027 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -143.23 126.57 16.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.466 ' CG2' HD13 ' A' ' 67' ' ' ILE . 4.7 mt -95.26 136.73 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.465 ' CG1' ' HB ' ' A' ' 78' ' ' THR . 0.4 OUTLIER -100.24 126.1 53.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.358 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.466 HD13 ' CG2' ' A' ' 65' ' ' ILE . 6.0 mm -122.74 121.96 64.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 69.2 p -129.99 -152.18 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.387 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -88.61 -64.18 1.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.271 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.418 ' O ' ' N ' ' A' ' 73' ' ' ILE . 5.4 mt-30 -54.21 -43.63 70.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.489 ' CD2' ' O ' ' A' ' 76' ' ' SER . 11.0 m170 -47.04 -26.52 1.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.647 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -74.86 -40.34 61.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.342 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' A' ' 70' ' ' GLN . 12.0 mt -66.53 -42.52 90.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -86.49 -14.91 41.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.571 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 71' ' ' HIS . 1.9 mtp180 58.6 36.63 25.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.357 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.489 ' O ' ' CD2' ' A' ' 71' ' ' HIS . 4.2 p -125.82 144.18 50.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.955 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 2.3 p -119.79 174.77 6.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 108.248 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.465 ' HB ' ' CG1' ' A' ' 66' ' ' VAL . 25.2 m -116.23 116.53 27.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 110.42 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 59.0 t -90.04 118.26 34.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -118.32 109.98 16.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.558 HG12 ' CE1' ' A' ' 63' ' ' PHE . 29.4 mt -76.42 144.13 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 62' ' ' PRO . 3.6 mmt -111.48 -28.11 8.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.516 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -96.64 157.45 15.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.095 . . . . 0.0 110.976 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 59.05 -168.48 6.5 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.536 1.147 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.468 ' CG2' ' HD2' ' A' ' 86' ' ' PRO . 2.7 m -41.06 146.35 0.5 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.51 0.771 . . . . 0.0 110.438 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.468 ' HD2' ' CG2' ' A' ' 85' ' ' THR . 18.2 Cg_endo -75.0 91.61 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.507 1.793 . . . . 0.0 110.997 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -107.96 110.78 22.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -114.1 109.4 18.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 37.8 m-70 -91.65 132.61 36.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.592 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.4 mtm-85 -116.18 124.99 51.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.9 t30 62.42 95.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.474 ' CE ' ' HB3' ' A' ' 96' ' ' ASP . 15.9 mmm -136.48 137.37 23.92 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 111.027 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 142.46 27.99 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.496 1.787 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -37.9 -70.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 110.333 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -37.31 -59.91 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.474 ' HB3' ' CE ' ' A' ' 92' ' ' MET . 0.5 OUTLIER -49.3 -58.64 4.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -48.51 -46.1 38.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.411 ' SD ' ' O ' ' A' ' 94' ' ' GLN . 0.0 OUTLIER -60.91 -26.52 67.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -86.83 -45.37 16.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -27.68 69.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.502 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.7 OUTLIER -85.33 -49.44 15.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.502 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -62.96 -34.72 78.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 -70.91 -67.27 0.52 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.12 . . . . 0.0 110.347 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -45.16 -54.08 7.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.503 ' CZ ' ' HE2' ' A' ' 109' ' ' LYS . 19.2 t80 -43.37 -57.71 2.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -41.34 -58.83 1.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.418 ' HA ' ' ND2' ' A' ' 110' ' ' ASN . 0.0 OUTLIER -62.1 -56.08 22.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 110.332 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -43.13 -42.61 4.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.503 ' HE2' ' CZ ' ' A' ' 105' ' ' TYR . 4.5 mtmt -65.62 -43.92 88.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.418 ' ND2' ' HA ' ' A' ' 107' ' ' ARG . 26.0 m-20 -50.2 -31.0 12.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -93.22 -25.43 17.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 18.1 t -71.16 -53.03 15.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 108.323 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 115' ' ' LYS . 0.1 OUTLIER -44.76 -48.02 10.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.21 92.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 113' ' ' ARG . 8.9 tttt -161.92 -66.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -147.75 130.27 15.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.275 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 116' ' ' GLU . 0.7 OUTLIER -35.05 105.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 110.285 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -45.91 171.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.337 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -124.93 37.0 4.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 95.1 mt -105.71 145.65 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -125.73 65.76 1.18 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.19 122.85 24.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -156.76 93.82 1.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.269 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -124.84 169.34 12.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.06 133.38 3.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.014 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -98.7 110.68 4.06 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.11 . . . . 0.0 110.981 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -43.23 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.47 1.774 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.57 130.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.972 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 47.9 t -155.44 143.37 19.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.008 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.067 0 O-C-N 124.453 1.095 . . . . 0.0 110.983 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.2 m -118.54 -59.1 1.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 109.97 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.6 p 57.17 170.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.015 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.81 134.63 13.87 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.524 1.14 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t -119.76 154.77 33.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 110.013 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.2 p 175.6 -48.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.024 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.46 -166.67 23.76 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 133.77 17.03 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.461 1.769 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.8 t -132.27 122.23 47.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.09 -47.69 11.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.1 t -137.45 129.14 28.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 108.299 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.4 m -112.56 121.47 44.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.973 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.9 t -86.9 119.56 34.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.442 HG21 ' CD2' ' A' ' 49' ' ' LEU . 1.4 mm -103.48 105.25 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -112.57 97.21 5.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.478 ' CG2' ' O ' ' A' ' 16' ' ' VAL . 10.7 m -76.74 68.86 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.345 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 167.55 169.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -116.53 24.22 11.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.14 -53.3 2.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 p -77.98 57.76 1.82 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 0.0 110.344 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.555 ' HE3' ' CZ ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -83.74 -55.29 4.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -61.67 -50.68 71.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -55.8 -59.83 4.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 111.013 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.09 -41.09 64.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.123 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.513 ' CG ' ' CD2' ' A' ' 40' ' ' LEU . 5.8 mt-10 -63.24 -11.77 23.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 29' ' ' ARG . 4.4 t -88.14 -70.61 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -40.79 -31.69 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.415 ' N ' ' C ' ' A' ' 26' ' ' SER . . . -73.91 -47.64 18.85 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.434 1.084 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 26' ' ' SER . 16.8 ptt85 -66.3 -26.18 67.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.771 . . . . 0.0 110.272 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -65.91 -41.84 90.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.45 ' HB ' ' CG2' ' A' ' 38' ' ' VAL . 95.4 t -68.81 -25.85 31.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.56 -32.48 62.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.346 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -62.69 -16.21 56.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.426 ' CD1' ' HA ' ' A' ' 31' ' ' VAL . 1.0 OUTLIER -91.35 -11.52 37.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.91 29.78 8.37 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.114 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 93.2 mtp -115.75 134.98 54.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 26.1 t -65.56 121.58 14.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.45 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 31.1 t -128.23 149.01 32.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -140.2 168.01 20.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.513 ' CD2' ' CG ' ' A' ' 25' ' ' GLU . 0.9 OUTLIER -121.94 128.03 51.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.252 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 23.7 mt -115.32 110.06 30.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.555 ' CZ ' ' HE3' ' A' ' 21' ' ' LYS . 55.6 m-85 -94.79 117.77 30.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.8 mt -108.94 133.62 52.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 45' ' ' THR . 9.2 p-10 -177.05 125.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 44' ' ' ASN . 5.3 p 37.02 42.63 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 110.419 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -142.47 -68.7 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.291 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 33.8 m -137.46 179.43 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.1 t -109.18 171.13 7.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.977 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.442 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.6 OUTLIER -50.46 -61.45 2.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.336 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.7 p -41.27 -53.34 3.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 110.023 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -42.01 -36.55 1.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.278 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.431 ' O ' ' CG2' ' A' ' 56' ' ' VAL . . . -81.92 -42.21 19.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 56.6 mt -58.59 -38.95 79.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -62.82 -46.75 86.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.302 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -68.35 -29.25 67.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.465 ' CG1' ' HB2' ' A' ' 61' ' ' SER . 55.4 t -61.77 -54.42 34.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -62.98 1.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.017 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.76 -34.83 41.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -70.26 -31.41 68.89 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 122.25 -28.48 5.79 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.465 ' HB2' ' CG1' ' A' ' 56' ' ' VAL . 32.6 m -40.58 107.17 0.45 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.774 . . . . 0.0 110.012 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.412 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.3 Cg_endo -74.99 -35.33 3.2 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.469 1.773 . . . . 0.0 110.966 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.507 ' CE1' HG12 ' A' ' 81' ' ' ILE . 16.7 m-30 -114.36 145.35 41.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.95 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.96 124.03 15.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.403 ' CG2' HD12 ' A' ' 67' ' ' ILE . 10.0 mt -97.03 140.06 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.079 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.511 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 0.7 OUTLIER -105.19 137.56 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.24 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.403 HD12 ' CG2' ' A' ' 65' ' ' ILE . 4.0 mm -128.01 153.26 37.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.085 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.474 HG21 ' CG ' ' A' ' 71' ' ' HIS . 2.0 t -173.82 159.39 3.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 110.397 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -39.17 -65.43 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 73' ' ' ILE . 0.0 OUTLIER -49.96 -59.21 4.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.242 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.532 ' CD2' ' O ' ' A' ' 76' ' ' SER . 13.2 m170 -40.35 -33.26 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 109.577 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -66.42 -50.29 63.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 70' ' ' GLN . 14.0 mt -57.99 -60.17 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -67.44 -10.25 49.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.594 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.4 mpp_? 54.13 38.74 29.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 0.0 110.344 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.532 ' O ' ' CD2' ' A' ' 71' ' ' HIS . 0.9 OUTLIER -130.51 145.62 51.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.023 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.5 p -122.94 175.48 6.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 108.351 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.466 ' HB ' ' CG1' ' A' ' 66' ' ' VAL . 15.9 m -115.56 115.56 26.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.417 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 58.4 t -90.44 128.19 42.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 -127.84 110.64 12.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.507 HG12 ' CE1' ' A' ' 63' ' ' PHE . 42.3 mt -78.13 144.27 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.412 ' N ' ' O ' ' A' ' 62' ' ' PRO . 11.1 mmt -106.75 -27.67 10.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.48 ' O ' ' CG2' ' A' ' 81' ' ' ILE . 0.3 OUTLIER -102.2 150.95 22.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 71.86 -171.4 47.87 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.462 1.101 . . . . 0.0 111.042 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.472 ' CG2' ' HD2' ' A' ' 86' ' ' PRO . 2.7 m -45.29 146.43 1.59 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.77 . . . . 0.0 110.404 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 85' ' ' THR . 18.3 Cg_endo -74.97 100.1 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.52 1.8 . . . . 0.0 111.028 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -115.95 118.91 34.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -113.06 109.6 19.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.559 ' CD2' HD13 ' A' ' 100' ' ' LEU . 67.6 m-70 -91.93 117.66 30.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.569 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -107.3 126.7 52.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 47.8 t30 61.65 97.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 11.4 mmm -141.41 135.21 14.76 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 141.05 26.18 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.51 1.795 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -40.13 -66.94 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -37.61 -52.48 1.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 99' ' ' VAL . 0.3 OUTLIER -60.87 -56.76 17.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.286 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -47.24 -39.15 13.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 31.1 mmt -66.98 -31.36 71.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 111.004 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 96' ' ' ASP . 0.4 OUTLIER -82.12 -40.82 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.559 HD13 ' CD2' ' A' ' 89' ' ' HIS . 0.1 OUTLIER -65.47 -29.38 70.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.486 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.6 OUTLIER -86.53 -49.04 15.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.486 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -60.51 -33.96 73.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 6.0 mmm180 -74.81 -68.48 0.54 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -44.63 -55.26 5.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.568 ' CE1' ' HD3' ' A' ' 109' ' ' LYS . 13.3 t80 -39.97 -56.87 1.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -43.84 -55.12 4.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.402 ' HA ' ' ND2' ' A' ' 110' ' ' ASN . 0.0 OUTLIER -61.75 -56.13 22.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.16 . . . . 0.0 110.328 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -42.76 -37.75 1.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.568 ' HD3' ' CE1' ' A' ' 105' ' ' TYR . 0.3 OUTLIER -70.55 -47.61 59.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.258 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.402 ' ND2' ' HA ' ' A' ' 107' ' ' ARG . 19.4 m-20 -47.22 -33.29 5.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -92.24 -25.48 18.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.318 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . 0.401 ' N ' ' O ' ' A' ' 109' ' ' LYS . 16.2 t -69.0 -58.1 4.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 108.307 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.47 -34.87 2.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.33 100.86 0.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 110.288 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.35 -179.03 5.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.38 74.21 1.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 3.9 mtp85 56.96 106.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.283 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -45.14 163.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.265 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -50.65 -24.16 3.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.161 . . . . 0.0 110.304 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 3.6 mt -69.67 147.93 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -130.76 69.8 1.46 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.35 102.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.55 144.49 28.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 110.329 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -150.47 132.64 15.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.1 m -117.17 133.79 55.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.148 . . . . 0.0 110.025 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -129.81 -135.26 3.85 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 158.03 42.22 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.469 1.773 . . . . 0.0 110.959 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.8 t -143.52 134.61 25.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.035 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 47.6 96.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.028 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.51 1.132 . . . . 0.0 111.015 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.28 118.66 15.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.767 . . . . 0.0 110.021 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.0 m -165.52 -56.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 110.003 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.26 -116.52 1.15 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.522 1.139 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.4 t -127.74 -63.2 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.762 . . . . 0.0 109.982 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.8 t -119.39 111.63 18.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.002 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.07 157.08 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.477 ' CG ' ' HA3' ' A' ' 60' ' ' GLY . 18.4 Cg_endo -74.98 53.85 3.45 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.536 1.808 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.406 ' O ' ' O ' ' A' ' 8' ' ' PRO . 75.3 t 60.6 147.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.419 ' HB2' ' N ' ' A' ' 37' ' ' VAL . 1.1 m-20 -96.94 -37.4 10.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -149.13 97.35 2.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 108.331 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.18 128.84 33.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.011 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.4 t -92.33 114.62 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.412 HG22 ' CD2' ' A' ' 49' ' ' LEU . 4.7 mm -89.96 110.15 21.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -123.52 103.79 13.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.428 ' CG1' HD13 ' A' ' 43' ' ' LEU . 6.1 m -79.8 -38.16 18.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -67.37 146.91 53.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.5 mmmt -101.25 5.24 42.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.24 -29.52 11.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 110.321 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.0 p -88.0 61.34 6.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.143 . . . . 0.0 110.372 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.575 ' HE3' ' CZ ' ' A' ' 42' ' ' PHE . 11.1 ttmt -86.54 -60.47 1.99 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -61.84 -53.56 54.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.552 ' CE2' ' HA ' ' A' ' 72' ' ' GLN . 2.9 t80 -47.35 -45.88 25.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 111.015 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.89 -38.34 64.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.28 -18.08 5.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 29' ' ' ARG . 5.8 t -87.71 -68.08 0.78 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 109.997 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 26' ' ' SER . 0.3 OUTLIER -39.67 -33.0 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.46 ' CA ' HG12 ' A' ' 38' ' ' VAL . . . -74.17 -48.75 14.24 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 26' ' ' SER . 4.0 ptp180 -66.92 -27.66 67.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 0.791 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -63.01 -41.04 99.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.456 HG12 ' CG2' ' A' ' 38' ' ' VAL . 75.6 t -70.57 -25.6 27.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -75.07 -32.0 61.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.313 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -60.57 -19.1 56.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.86 -11.33 42.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.96 29.2 8.73 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 94.7 mtp -114.72 131.74 56.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 0.764 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.419 ' N ' ' HB2' ' A' ' 10' ' ' ASP . 40.2 t -65.52 122.66 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.46 HG12 ' CA ' ' A' ' 28' ' ' GLY . 39.9 t -127.69 146.92 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -133.85 168.33 18.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.17 123.43 40.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 31.1 mt -107.99 104.74 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.575 ' CZ ' ' HE3' ' A' ' 21' ' ' LYS . 41.1 m-85 -90.62 114.37 26.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 110.978 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.428 HD13 ' CG1' ' A' ' 16' ' ' VAL . 0.5 OUTLIER -112.2 161.8 16.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.33 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -145.86 -62.62 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.4 m -131.29 -53.47 1.03 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.424 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.471 ' O ' ' CG2' ' A' ' 47' ' ' VAL . 13.5 mt-10 -41.37 129.01 3.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 46' ' ' GLU . 10.8 m 48.11 -155.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.2 m -144.13 -179.66 6.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 110.001 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.438 ' CD2' ' C ' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -56.37 -59.96 4.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 53' ' ' LEU . 81.7 p -47.08 -51.72 17.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.039 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -47.5 -34.23 7.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 110.277 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.467 ' O ' ' CG2' ' A' ' 56' ' ' VAL . . . -76.54 -34.25 58.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 50' ' ' SER . 29.5 mt -64.53 -54.15 36.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.268 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -56.22 -25.84 48.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.426 ' HA ' ' CD ' ' A' ' 58' ' ' ARG . 7.0 t70 -86.43 -25.32 25.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.467 ' CG2' ' O ' ' A' ' 52' ' ' ALA . 54.9 t -66.04 -61.67 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.8 t -52.5 -61.42 2.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.013 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.426 ' CD ' ' HA ' ' A' ' 55' ' ' ASP . 3.3 ptm180 -49.5 -33.86 15.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.96 -32.27 83.67 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.477 ' HA3' ' CG ' ' A' ' 8' ' ' PRO . . . 130.69 -46.49 1.07 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 60' ' ' GLY . 0.2 OUTLIER -36.96 117.15 0.74 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.463 0.743 . . . . 0.0 110.001 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -38.22 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.47 1.774 . . . . 0.0 110.96 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.565 ' CD1' HG12 ' A' ' 81' ' ' ILE . 17.2 m-30 -113.24 149.57 33.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.42 131.14 18.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.416 HG22 ' N ' ' A' ' 66' ' ' VAL . 4.9 mt -94.97 150.92 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.472 ' CG1' ' HB ' ' A' ' 78' ' ' THR . 0.5 OUTLIER -115.04 123.94 71.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.6 mm -125.09 122.74 63.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 64.2 p -130.77 -149.77 0.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.408 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.04 -63.13 1.34 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 73' ' ' ILE . 10.8 mt-30 -51.84 -45.11 63.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 76' ' ' SER . 12.1 m170 -48.63 -31.06 6.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.582 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.552 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 6.8 tt0 -67.8 -35.24 78.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.416 ' N ' ' O ' ' A' ' 70' ' ' GLN . 10.7 mt -70.02 -65.28 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -65.16 -18.34 65.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.565 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 71' ' ' HIS . 0.8 OUTLIER 62.55 49.33 4.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 110.314 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.59 ' O ' ' CD2' ' A' ' 71' ' ' HIS . 1.4 m -137.17 147.86 46.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.046 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 2.1 p -121.31 175.51 6.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 108.285 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.472 ' HB ' ' CG1' ' A' ' 66' ' ' VAL . 36.5 m -118.29 121.71 41.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.393 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.456 ' CG1' HD22 ' A' ' 100' ' ' LEU . 97.7 t -89.91 111.52 23.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -110.16 119.7 40.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.565 HG12 ' CD1' ' A' ' 63' ' ' PHE . 32.1 mt -89.12 144.57 8.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.158 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.4 mmt -111.02 -28.43 8.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.965 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.567 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -91.73 152.61 20.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 58.79 -168.84 5.9 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.479 ' CG2' ' HD2' ' A' ' 86' ' ' PRO . 2.4 m -38.5 146.58 0.3 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.539 0.787 . . . . 0.0 110.367 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.479 ' HD2' ' CG2' ' A' ' 85' ' ' THR . 18.4 Cg_endo -74.96 88.3 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.477 1.777 . . . . 0.0 111.021 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -107.89 116.52 32.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -125.91 98.81 5.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.564 ' CD2' HD12 ' A' ' 100' ' ' LEU . 39.4 m-70 -74.86 126.0 30.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.576 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.8 mtp85 -113.99 134.79 54.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 72.28 70.59 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.447 ' CE ' ' HB3' ' A' ' 96' ' ' ASP . 21.8 mmm -131.72 128.96 21.88 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 170.56 20.16 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.529 1.805 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -56.65 -66.15 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -37.79 -70.59 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.447 ' HB3' ' CE ' ' A' ' 92' ' ' MET . 0.2 OUTLIER -45.73 -57.92 3.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -45.21 -51.6 10.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 27.5 mmt -57.72 -27.72 63.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 111.047 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.494 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.5 OUTLIER -84.21 -47.31 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.564 HD12 ' CD2' ' A' ' 89' ' ' HIS . 0.1 OUTLIER -61.58 -28.39 69.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.465 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.8 OUTLIER -85.49 -47.37 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.465 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -62.53 -41.44 98.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 0.2 OUTLIER -65.67 -71.24 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -40.68 -60.49 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.255 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.528 ' CE1' ' HD3' ' A' ' 109' ' ' LYS . 14.8 t80 -38.08 -60.68 0.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -40.71 -47.3 2.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 110' ' ' ASN . 0.0 OUTLIER -70.18 -61.19 1.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.373 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -38.83 -35.94 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.971 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.528 ' HD3' ' CE1' ' A' ' 105' ' ' TYR . 0.8 OUTLIER -67.57 -49.51 62.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 107' ' ' ARG . 0.3 OUTLIER -47.05 -39.22 12.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.407 ' N ' ' CG ' ' A' ' 110' ' ' ASN . 3.6 mm-40 -73.94 -29.34 61.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 110.256 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 109' ' ' LYS . 1.2 t -49.36 -64.31 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 108.29 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.99 -39.06 58.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -60.46 -49.2 78.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.96 81.96 1.82 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -106.51 -26.06 11.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 61.63 142.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -46.22 170.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.307 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -119.58 38.88 3.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 6.5 mt -46.21 146.68 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -158.76 -65.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 47.03 90.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -170.76 143.95 2.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . 44.49 74.43 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.82 124.73 20.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -163.39 150.85 20.04 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.554 1.159 . . . . 0.0 110.944 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 150.28 37.94 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.529 1.805 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 33.4 t -145.96 128.68 16.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.032 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 45.7 m -98.85 144.85 27.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.98 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.945 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.6 p -172.33 91.2 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 0.757 . . . . 0.0 110.014 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.46 144.29 48.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.989 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.35 98.04 1.65 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -168.95 78.33 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 0.771 . . . . 0.0 110.011 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.7 t 62.16 108.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.009 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.57 165.55 32.36 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.464 1.102 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 127.65 10.83 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.493 1.786 . . . . 0.0 110.954 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 10' ' ' ASP . 40.4 t -123.84 121.46 62.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 9' ' ' VAL . 0.4 OUTLIER -39.79 -46.89 2.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.3 t -148.74 114.88 5.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 108.268 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.67 132.0 43.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.966 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.452 ' CG1' HG13 ' A' ' 67' ' ' ILE . 93.9 t -90.58 120.86 40.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 mm -102.46 107.57 22.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -116.25 97.88 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 30.0 m -72.3 -45.2 61.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -56.01 159.97 3.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.351 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.41 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 0.3 OUTLIER -114.05 40.14 2.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.17 -46.07 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 p -70.27 59.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.403 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -86.66 -57.47 2.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.94 -55.7 26.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -49.63 -56.11 11.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.65 -42.09 78.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.502 ' CG ' ' CD2' ' A' ' 40' ' ' LEU . 1.5 mt-10 -62.57 -11.95 19.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 29' ' ' ARG . 4.8 t -86.89 -68.86 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.017 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.458 HG23 ' CG ' ' A' ' 94' ' ' GLN . 0.3 OUTLIER -43.74 -31.28 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.28 -42.46 42.41 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 26' ' ' SER . 9.8 ptt180 -72.55 -24.45 61.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 0.73 . . . . 0.0 110.284 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -68.7 -40.6 79.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.496 ' CG1' ' CG2' ' A' ' 38' ' ' VAL . 63.9 t -65.82 -27.0 40.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.5 mtt-85 -74.52 -32.96 62.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 110.246 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -60.36 -17.93 46.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.592 1.182 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -90.89 -11.01 40.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.15 29.6 8.87 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.468 ' HG2' ' CE1' ' A' ' 105' ' ' TYR . 93.8 mtp -115.4 133.65 55.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.77 . . . . 0.0 111.004 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.3 t -65.81 121.37 14.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.496 ' CG2' ' CG1' ' A' ' 31' ' ' VAL . 60.1 t -131.55 150.19 33.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -142.37 168.33 20.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.502 ' CD2' ' CG ' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -117.87 126.96 53.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.117 . . . . 0.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.1 mt -113.2 107.47 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -94.65 121.16 35.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.1 mt -102.58 62.81 0.85 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -59.81 -63.82 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.1 m -147.89 78.72 1.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.375 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -132.74 -91.44 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.6 t -133.29 -144.77 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 53.8 m -98.53 -179.18 4.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.981 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.484 ' CD2' ' C ' ' A' ' 49' ' ' LEU . 0.5 OUTLIER -69.97 -57.47 4.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.0 p -42.68 -43.4 3.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 110.007 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -48.42 -39.23 21.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . -72.8 -41.94 64.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 94.4 mt -59.83 -39.8 86.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -61.09 -30.98 70.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.28 -29.04 24.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.443 HG12 ' CB ' ' A' ' 61' ' ' SER . 75.9 t -62.32 -39.37 83.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -59.92 2.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.017 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.403 ' CG ' ' N ' ' A' ' 59' ' ' GLY . 0.2 OUTLIER -56.75 -36.49 69.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.403 ' N ' ' CG ' ' A' ' 58' ' ' ARG . . . -64.92 -32.22 83.5 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 122.83 -31.51 4.74 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.443 ' CB ' HG12 ' A' ' 56' ' ' VAL . 1.0 OUTLIER -39.41 110.63 0.63 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.51 0.771 . . . . 0.0 109.965 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.417 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.2 Cg_endo -74.99 -37.37 2.06 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.554 1.818 . . . . 0.0 111.005 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.462 ' CD1' HG12 ' A' ' 81' ' ' ILE . 11.4 m-30 -114.28 151.17 33.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.65 119.28 9.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.411 ' CG2' HD13 ' A' ' 67' ' ' ILE . 9.3 mt -94.93 131.65 41.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.472 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 0.6 OUTLIER -99.17 135.24 35.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.452 HG13 ' CG1' ' A' ' 13' ' ' VAL . 3.7 mm -128.62 154.84 40.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.441 HG23 ' ND1' ' A' ' 71' ' ' HIS . 1.6 t -174.92 159.56 2.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.378 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.426 ' O ' ' CB ' ' A' ' 72' ' ' GLN . 0.0 OUTLIER -38.99 -65.31 0.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.14 -57.46 5.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' A' ' 76' ' ' SER . 15.0 m170 -43.29 -29.62 0.43 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 109.602 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.426 ' CB ' ' O ' ' A' ' 69' ' ' GLN . 8.2 tt0 -66.36 -49.59 66.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.336 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 12.4 mt -60.35 -58.08 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -69.82 -9.83 56.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.622 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 71' ' ' HIS . 2.9 mtp180 50.47 41.37 25.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.581 ' O ' ' CD2' ' A' ' 71' ' ' HIS . 34.5 p -132.41 145.24 51.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.978 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.6 p -122.65 175.49 6.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 108.287 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 55.3 m -115.06 113.05 23.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.379 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.9 t -90.2 119.63 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -122.62 114.09 20.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.462 HG12 ' CD1' ' A' ' 63' ' ' PHE . 36.2 mt -78.46 148.81 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.417 ' N ' ' O ' ' A' ' 62' ' ' PRO . 7.5 mmt -114.39 -21.34 10.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -103.4 150.06 24.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.5 -161.39 50.86 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.463 1.102 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.477 ' CG2' ' HD2' ' A' ' 86' ' ' PRO . 2.5 m -51.02 146.58 10.38 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.518 0.775 . . . . 0.0 110.428 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 85' ' ' THR . 18.2 Cg_endo -75.01 95.37 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.489 1.783 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -110.61 114.78 28.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.312 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -113.49 109.81 19.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.29 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.491 ' CD2' HD12 ' A' ' 100' ' ' LEU . 58.8 m-70 -93.39 115.65 28.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.606 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 61.7 mtt180 -102.92 126.45 50.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 62.1 98.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.423 ' CE ' ' HB3' ' A' ' 96' ' ' ASP . 10.3 mmm -142.33 137.46 15.62 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 94' ' ' GLN . 18.1 Cg_endo -75.03 138.38 22.88 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.452 1.764 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.458 ' CG ' HG23 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -37.92 -62.44 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -39.39 -60.58 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.423 ' HB3' ' CE ' ' A' ' 92' ' ' MET . 0.9 OUTLIER -52.87 -58.03 8.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -46.26 -48.86 17.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.433 ' HE2' ' CG2' ' A' ' 31' ' ' VAL . 34.9 mmt -57.87 -26.89 62.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' A' ' 96' ' ' ASP . 0.4 OUTLIER -86.89 -45.65 16.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.491 HD12 ' CD2' ' A' ' 89' ' ' HIS . 0.0 OUTLIER -61.48 -27.74 68.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.502 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.7 OUTLIER -85.3 -49.48 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.502 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -62.32 -33.8 75.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.419 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 2.2 mmm180 -73.32 -66.58 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -46.67 -48.05 20.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.518 ' CZ ' ' HD3' ' A' ' 109' ' ' LYS . 34.5 t80 -50.09 -54.83 17.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -43.63 -52.61 6.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 110' ' ' ASN . 0.0 OUTLIER -59.75 -59.36 5.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -46.22 -25.64 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.98 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.518 ' HD3' ' CZ ' ' A' ' 105' ' ' TYR . 0.9 OUTLIER -83.83 -38.61 21.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 107' ' ' ARG . 74.6 m-20 -52.14 -22.58 4.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -72.12 -26.29 62.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 7.1 t -56.55 -50.28 72.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 108.323 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -72.37 -50.5 26.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -133.11 92.15 2.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -79.62 124.01 28.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 117' ' ' ARG . 5.5 tm-20 -171.36 80.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 116' ' ' GLU . 1.9 mpt_? -35.48 107.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -44.7 166.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.268 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -116.93 37.82 3.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 71.4 mt -101.69 124.83 55.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 56.91 164.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -179.7 89.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.254 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -90.54 141.85 28.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.108 . . . . 0.0 110.321 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -157.19 -57.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.4 m -58.86 -59.79 4.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.992 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -46.53 -86.42 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 116.73 4.67 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.551 1.816 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 88.1 p -100.66 134.94 42.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.0 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 9.4 t 65.92 158.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.013 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.457 1.098 . . . . 0.0 111.038 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.73 -61.86 2.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 0.745 . . . . 0.0 110.025 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.4 p -48.94 123.85 7.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.021 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.67 -57.19 2.1 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 t -52.46 -56.64 13.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 0.785 . . . . 0.0 110.015 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 m -57.84 165.31 1.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.143 . . . . 0.0 109.973 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.52 -160.87 6.49 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.48 1.112 . . . . 0.0 110.966 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 170.95 19.28 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.502 1.791 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.414 HG12 ' CA ' ' A' ' 12' ' ' SER . 87.1 t -113.47 109.72 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.64 -44.16 2.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.9 t -149.21 103.38 3.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 108.313 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.414 ' CA ' HG12 ' A' ' 9' ' ' VAL . 1.1 m -89.49 136.17 33.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.996 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.429 HG22 ' CG1' ' A' ' 38' ' ' VAL . 94.9 t -94.45 121.14 44.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 67' ' ' ILE . 3.7 mm -100.49 116.07 43.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -129.55 97.96 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.445 ' CG1' HD11 ' A' ' 43' ' ' LEU . 15.9 m -78.4 63.7 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.422 1.076 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.5 m120 168.62 178.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -114.72 -36.54 4.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -41.4 -44.96 2.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.5 p -93.94 60.1 2.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.376 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.11 -38.67 14.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -79.87 -57.82 3.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.571 ' CE2' ' HA ' ' A' ' 72' ' ' GLN . 2.2 t80 -44.85 -43.44 8.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.83 -34.96 64.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.77 -15.13 18.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 29' ' ' ARG . 5.7 t -89.54 -69.03 0.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.001 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 26' ' ' SER . 0.3 OUTLIER -39.56 -32.25 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.254 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.43 ' N ' ' C ' ' A' ' 26' ' ' SER . . . -76.95 -47.77 9.12 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 0.0 111.054 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 26' ' ' SER . 0.9 OUTLIER -67.86 -21.71 65.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 110.312 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -69.34 -36.66 77.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.349 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.449 ' HB ' ' CG2' ' A' ' 38' ' ' VAL . 75.8 t -74.54 -26.87 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.167 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.2 mtm180 -74.69 -31.98 62.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.155 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -61.45 -16.91 51.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.4 ' CD1' ' HA ' ' A' ' 31' ' ' VAL . 0.8 OUTLIER -91.68 -10.06 41.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.58 26.57 13.1 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 95.1 mtp -111.27 134.81 52.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.77 . . . . 0.0 110.981 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 49.0 t -65.71 127.01 26.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.449 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 96.7 t -136.44 150.35 27.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -140.18 167.94 20.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.72 124.32 48.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.4 mt -109.61 107.32 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.264 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -93.07 126.58 38.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.445 HD11 ' CG1' ' A' ' 16' ' ' VAL . 0.7 OUTLIER -126.38 102.7 7.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -136.81 93.23 2.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.3 m 66.97 70.57 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.376 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -163.81 -69.38 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.329 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 24.7 m -134.82 -176.66 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.5 m -105.72 169.82 8.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.033 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.416 HD22 ' CG2' ' A' ' 14' ' ' ILE . 0.7 OUTLIER -52.99 -59.08 4.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 53' ' ' LEU . 0.6 OUTLIER -44.61 -52.87 7.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.974 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -42.62 -33.91 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.582 1.176 . . . . 0.0 110.335 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.12 -42.08 19.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 50' ' ' SER . 62.7 mt -58.17 -52.88 63.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -48.96 -29.18 4.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -85.17 -35.27 21.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.093 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.428 ' CG1' ' HB3' ' A' ' 61' ' ' SER . 71.8 t -57.86 -47.0 87.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.06 -64.06 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.429 ' CG ' ' N ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -50.96 -38.07 48.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.274 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.429 ' N ' ' CG ' ' A' ' 58' ' ' ARG . . . -62.4 -31.66 80.23 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.461 1.101 . . . . 0.0 110.971 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.22 -23.17 9.97 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.428 ' HB3' ' CG1' ' A' ' 56' ' ' VAL . 0.4 OUTLIER -39.21 116.75 1.06 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.556 0.798 . . . . 0.0 110.01 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.525 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 18.4 Cg_endo -75.0 -46.52 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.419 1.747 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.416 ' N ' ' CD1' ' A' ' 63' ' ' PHE . 4.5 m-30 -116.25 150.44 37.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.86 128.22 19.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.108 . . . . 0.0 109.267 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.44 ' CG2' HD12 ' A' ' 67' ' ' ILE . 21.0 mt -96.48 137.47 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.538 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 0.5 OUTLIER -102.8 129.0 55.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 14' ' ' ILE . 4.1 mm -126.52 158.37 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.457 ' CG2' ' N ' ' A' ' 69' ' ' GLN . 9.7 t -172.88 -147.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 110.408 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.457 ' N ' ' CG2' ' A' ' 68' ' ' THR . 0.6 OUTLIER -86.39 -63.96 1.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 73' ' ' ILE . 1.2 tp60 -51.66 -56.63 12.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.578 ' CD2' ' O ' ' A' ' 76' ' ' SER . 18.9 m170 -41.35 -32.79 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.585 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.571 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 10.2 tt0 -64.47 -50.79 66.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.422 ' N ' ' O ' ' A' ' 70' ' ' GLN . 6.8 mt -62.34 -63.91 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -58.38 -19.3 34.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.608 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 60.87 37.92 18.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.257 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.578 ' O ' ' CD2' ' A' ' 71' ' ' HIS . 1.3 p -131.48 143.76 50.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.9 p -122.82 172.17 8.65 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 108.295 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.453 ' HB ' ' CG1' ' A' ' 66' ' ' VAL . 13.0 m -112.87 115.57 28.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 110.361 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 80.5 t -90.2 116.07 30.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -111.99 125.42 54.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.562 HG22 ' CE2' ' A' ' 83' ' ' PHE . 16.5 mt -89.38 146.3 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 62' ' ' PRO . 9.8 mmt -117.45 -30.82 5.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.562 ' CE2' HG22 ' A' ' 81' ' ' ILE . 4.9 p90 -67.07 -179.16 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.964 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.478 ' N ' ' CD1' ' A' ' 83' ' ' PHE . . . -38.53 159.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.135 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 34.0 m 57.59 112.45 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.773 . . . . 0.0 110.387 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 114.18 3.97 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.786 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -128.16 126.99 42.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.294 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -132.88 114.99 14.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 110.287 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.496 ' CD2' HD13 ' A' ' 100' ' ' LEU . 18.9 m-70 -106.16 125.59 51.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.574 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.1 mtp85 -108.69 124.67 50.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 26.4 t30 59.94 97.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 16.4 mmm -135.73 140.57 34.1 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.98 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 94' ' ' GLN . 18.3 Cg_endo -74.99 136.36 20.31 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.525 1.803 . . . . 0.0 110.96 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -38.25 -65.81 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 98' ' ' MET . . . -40.11 -71.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -46.16 -41.93 13.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.265 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.86 -41.35 77.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.338 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 95' ' ' ALA . 32.0 mmt -65.43 -24.76 67.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 111.038 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.415 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.4 OUTLIER -86.52 -46.07 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.411 1.07 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.496 HD13 ' CD2' ' A' ' 89' ' ' HIS . 0.1 OUTLIER -61.69 -28.18 69.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.484 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.8 OUTLIER -85.24 -48.22 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.484 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -62.4 -30.81 71.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.415 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 6.5 mmm180 -76.3 -67.0 0.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.259 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -43.01 -59.1 2.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -40.13 -61.99 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -39.6 -55.33 1.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.241 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 110' ' ' ASN . 0.0 OUTLIER -66.94 -62.51 1.4 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.525 ' CE1' ' HB3' ' A' ' 62' ' ' PRO . 1.2 t80 -40.83 -28.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 112' ' ' CYS . 1.4 mtmt -75.5 -48.28 23.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 107' ' ' ARG . 0.5 OUTLIER -46.2 -40.05 10.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.429 ' N ' ' CG ' ' A' ' 110' ' ' ASN . 5.8 mm-40 -78.29 -28.2 47.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . 0.454 ' N ' ' O ' ' A' ' 109' ' ' LYS . 19.4 t -65.47 -64.94 0.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 108.306 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -44.83 -53.37 7.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.86 80.95 4.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.266 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.36 -177.87 6.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.48 101.71 0.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 60.1 109.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -43.69 164.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -104.52 37.09 2.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 7.0 mm -40.38 136.17 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.122 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -144.63 78.02 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.89 120.73 28.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.311 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -114.91 144.81 42.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -119.59 96.78 5.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.5 -59.15 5.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.938 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 130.05 -167.56 21.71 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.472 1.108 . . . . 0.0 110.981 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 152.69 41.08 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.506 1.793 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 14.0 t -155.4 146.49 22.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.962 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.65 103.89 2.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.968 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.5 -59.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 0.735 . . . . 0.0 110.02 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -101.45 160.31 14.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.98 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.18 -81.94 0.89 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.116 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.5 p -104.78 136.19 44.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.75 . . . . 0.0 109.982 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 t -148.05 -58.58 0.24 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.995 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.62 178.62 15.58 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.566 1.166 . . . . 0.0 111.0 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 141.97 27.09 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.457 1.767 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.409 HG12 ' N ' ' A' ' 12' ' ' SER . 17.8 t -119.56 107.94 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -40.55 -51.81 2.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.287 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.7 t -140.0 104.32 4.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 108.302 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.409 ' N ' HG12 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -90.72 130.48 36.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.023 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.443 ' CG1' HG13 ' A' ' 67' ' ' ILE . 58.7 t -90.98 127.8 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.46 ' CG2' HD23 ' A' ' 49' ' ' LEU . 3.5 mm -106.99 114.76 46.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' A' ' 17' ' ' ASN . 0.8 OUTLIER -125.71 101.31 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 26.8 m -75.55 -27.97 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.493 ' O ' ' CG2' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -84.15 135.87 34.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -92.55 26.23 2.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.245 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -116.03 -39.67 3.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 110.329 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.7 p -83.25 57.39 3.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.433 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.469 ' HE3' ' CZ ' ' A' ' 42' ' ' PHE . 4.1 tttt -79.43 -56.24 4.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.38 -51.57 59.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.533 ' CE2' ' HA ' ' A' ' 72' ' ' GLN . 1.9 t80 -49.08 -44.13 41.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.05 -36.88 61.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.68 -16.17 9.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.597 1.186 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' ARG . 8.6 t -87.93 -68.43 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.016 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.466 HG12 ' CD1' ' A' ' 67' ' ' ILE . 0.3 OUTLIER -39.55 -33.63 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.462 ' CA ' HG12 ' A' ' 38' ' ' VAL . . . -74.38 -48.53 13.94 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.488 1.117 . . . . 0.0 110.941 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 26' ' ' SER . 3.0 ptt180 -67.09 -28.97 68.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 0.768 . . . . 0.0 110.303 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -61.08 -39.61 90.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.457 ' HB ' ' CG2' ' A' ' 38' ' ' VAL . 74.6 t -72.26 -26.89 25.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -74.02 -32.21 63.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.296 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -60.25 -17.3 40.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 mt -91.83 -10.92 38.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.37 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.74 25.76 12.83 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.126 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 97.0 mtp -109.49 135.72 50.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 0.766 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.9 t -65.74 121.98 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.462 HG12 ' CA ' ' A' ' 28' ' ' GLY . 36.6 t -129.07 148.7 33.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.44 174.84 10.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.64 121.57 27.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 34.9 mt -107.92 102.1 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.469 ' CZ ' ' HE3' ' A' ' 21' ' ' LYS . 45.8 m-85 -86.88 132.49 33.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.85 146.33 50.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -174.99 118.33 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 27.3 m 39.05 32.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.396 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -121.41 -67.1 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.298 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.0 m -138.04 175.06 9.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.7 t -100.85 160.68 14.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.998 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.46 HD23 ' CG2' ' A' ' 14' ' ' ILE . 0.5 OUTLIER -43.75 -64.33 0.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -41.73 -50.77 4.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.022 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -42.08 -35.66 0.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . -83.22 -40.78 19.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.273 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 50' ' ' SER . 36.3 mt -59.46 -42.81 92.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -59.31 -33.5 71.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -81.89 -30.33 31.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.413 HG13 ' CB ' ' A' ' 61' ' ' SER . 64.7 t -60.38 -42.64 91.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.78 -61.3 1.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.435 ' CG ' ' N ' ' A' ' 59' ' ' GLY . 5.9 ptt180 -54.28 -37.81 65.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.435 ' N ' ' CG ' ' A' ' 58' ' ' ARG . . . -62.02 -32.0 80.67 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 61' ' ' SER . . . 117.94 -25.67 8.29 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.413 ' CB ' HG13 ' A' ' 56' ' ' VAL . 0.4 OUTLIER -38.85 116.41 0.97 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.462 0.742 . . . . 0.0 109.973 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.562 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 18.3 Cg_endo -75.04 -42.68 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.494 1.786 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.6 m-30 -117.04 146.98 42.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.408 ' HB1' ' CG1' ' A' ' 56' ' ' VAL . . . -141.58 122.87 14.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.42 ' CG2' HD13 ' A' ' 67' ' ' ILE . 19.8 mt -95.2 139.36 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.514 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 1.0 OUTLIER -103.99 127.55 58.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.466 ' CD1' HG12 ' A' ' 27' ' ' VAL . 5.0 mm -124.06 150.9 28.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.414 HG23 ' ND1' ' A' ' 71' ' ' HIS . 2.0 t -175.46 163.09 2.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.366 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.16 -54.83 18.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -55.9 -30.13 61.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.342 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.514 ' CE1' ' CG1' ' A' ' 66' ' ' VAL . 9.6 m170 -77.73 -17.9 57.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.62 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.533 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 8.5 tt0 -78.73 -30.98 46.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.323 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.9 mt -69.79 -50.85 45.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -79.12 -15.36 58.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.135 . . . . 0.0 109.601 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 61.88 32.01 18.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 82.5 p -129.26 149.96 50.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 110.012 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 1.8 p -123.57 173.79 7.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 108.3 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.8 m -111.02 120.73 43.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.094 . . . . 0.0 110.427 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.468 ' CG1' HD21 ' A' ' 100' ' ' LEU . 59.2 t -90.43 129.66 40.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -131.58 124.32 29.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.567 HG21 ' CE2' ' A' ' 83' ' ' PHE . 14.8 mt -91.44 148.24 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 62' ' ' PRO . 5.8 mmt -116.8 -29.24 6.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 111.051 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.567 ' CE2' HG21 ' A' ' 81' ' ' ILE . 2.5 p90 -70.85 178.44 3.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.48 ' N ' ' CD1' ' A' ' 83' ' ' PHE . . . -38.99 159.47 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.5 m 59.72 114.0 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.477 0.751 . . . . 0.0 110.377 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 129.43 12.33 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.487 1.782 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.45 ' HB2' ' CD1' ' A' ' 81' ' ' ILE . 3.6 mm100 -145.85 120.37 9.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -133.23 121.95 23.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.321 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.533 ' CD2' HD12 ' A' ' 100' ' ' LEU . 74.8 m-70 -118.22 122.5 43.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.612 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.7 mtm180 -94.02 137.99 32.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 41.36 85.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.487 ' SD ' ' CB ' ' A' ' 89' ' ' HIS . 5.7 mtp -112.86 142.91 28.06 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.416 ' HG2' ' CB ' ' A' ' 96' ' ' ASP . 18.4 Cg_endo -75.06 131.37 14.15 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.496 1.787 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -37.71 -63.77 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -41.34 -70.07 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.416 ' CB ' ' HG2' ' A' ' 93' ' ' PRO . 49.7 t0 -47.38 -44.21 24.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.88 -43.25 77.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 32.6 mmt -64.7 -24.56 67.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.489 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.4 OUTLIER -86.47 -45.34 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.533 HD12 ' CD2' ' A' ' 89' ' ' HIS . 0.1 OUTLIER -60.76 -29.61 69.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.468 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.8 OUTLIER -83.73 -47.38 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.468 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -64.09 -17.02 63.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.489 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 8.6 mmm180 -92.99 -63.14 1.25 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -49.62 -54.99 15.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.486 ' CZ ' ' HE2' ' A' ' 109' ' ' LYS . 8.5 t80 -39.2 -52.94 1.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.956 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -48.82 -54.42 15.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.342 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 110' ' ' ASN . 0.0 OUTLIER -62.6 -63.22 1.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.349 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.562 ' CE1' ' HB3' ' A' ' 62' ' ' PRO . 1.9 t80 -39.42 -40.89 0.88 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.486 ' HE2' ' CZ ' ' A' ' 105' ' ' TYR . 2.8 mtmt -65.48 -48.1 73.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 107' ' ' ARG . 39.3 m-20 -46.53 -33.62 4.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -91.65 -27.08 18.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 109' ' ' LYS . 8.5 t -59.34 -68.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 108.312 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.23 -45.49 2.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.33 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.99 83.44 5.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.95 -171.06 2.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -57.74 167.76 1.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 116' ' ' GLU . 23.2 mtm180 -35.44 108.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 110.316 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -41.12 158.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.265 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.84 37.57 1.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.331 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 7.2 mm -40.63 117.86 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -159.15 164.6 35.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -79.04 121.97 25.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.9 151.78 51.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.29 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . 68.67 115.86 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.76 106.91 16.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.008 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 74.84 115.98 0.09 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.492 1.12 . . . . 0.0 110.955 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 68.76 5.69 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.493 1.786 . . . . 0.0 111.033 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 47.4 t -168.2 154.18 7.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.142 . . . . 0.0 109.973 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 9.8 p -164.88 119.81 1.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.975 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 179.969 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 p -176.9 147.99 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 110.017 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.62 -58.76 4.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.9 67.35 0.29 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.518 1.136 . . . . 0.0 110.955 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 49.59 96.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.418 0.716 . . . . 0.0 109.964 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.91 -51.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.981 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.1 156.56 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 147.48 33.87 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.439 1.758 . . . . 0.0 111.013 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 62.4 t -127.04 119.41 52.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -42.98 -45.97 5.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.1 t -149.03 108.64 4.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 108.331 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.0 135.22 36.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.037 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.435 ' CG1' HG13 ' A' ' 67' ' ' ILE . 75.8 t -92.91 125.67 45.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.471 ' CG2' HD21 ' A' ' 49' ' ' LEU . 1.8 mm -105.57 109.23 27.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.1 p -117.84 101.84 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.456 ' CG1' ' HG ' ' A' ' 49' ' ' LEU . 30.4 m -75.51 -37.33 37.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.412 ' N ' HG22 ' A' ' 16' ' ' VAL . 0.6 OUTLIER -73.55 126.12 29.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tptp -85.68 49.46 1.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -142.12 -49.66 0.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 p -69.72 60.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.433 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -81.96 -68.38 0.7 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -47.83 -55.62 9.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.513 ' CZ ' ' HA ' ' A' ' 72' ' ' GLN . 29.3 t80 -51.59 -62.04 1.87 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.18 -41.62 62.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.492 ' CG ' ' CD2' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -63.02 -11.64 20.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.353 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 29' ' ' ARG . 2.8 t -87.3 -68.47 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.004 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.462 HG21 ' CG ' ' A' ' 94' ' ' GLN . 0.3 OUTLIER -47.93 -28.91 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.419 ' CA ' HG23 ' A' ' 13' ' ' VAL . . . -75.22 -33.9 52.8 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.461 1.101 . . . . 0.0 111.03 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 26' ' ' SER . 12.3 ptt180 -81.87 -31.01 31.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 110.318 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -59.57 -31.54 69.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.469 ' HB ' ' CG2' ' A' ' 38' ' ' VAL . 94.3 t -76.04 -27.42 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -74.04 -31.99 63.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.267 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -60.56 -19.28 56.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.424 ' CD1' ' HA ' ' A' ' 31' ' ' VAL . 0.6 OUTLIER -89.1 -11.01 45.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.72 23.69 17.7 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.454 1.096 . . . . 0.0 111.001 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 96.3 mtp -107.33 133.3 52.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.757 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 19.7 t -65.68 117.47 6.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.469 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 61.3 t -129.72 148.14 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -140.4 167.91 21.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.492 ' CD2' ' CG ' ' A' ' 25' ' ' GLU . 0.8 OUTLIER -115.38 127.94 55.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.1 mt -113.84 108.81 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -93.32 132.7 37.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.445 ' O ' ' CB ' ' A' ' 44' ' ' ASN . 11.9 mt -122.62 -138.47 0.31 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.458 ' O ' ' CB ' ' A' ' 45' ' ' THR . 1.7 t-20 78.14 108.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.364 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.458 ' CB ' ' O ' ' A' ' 44' ' ' ASN . 2.8 m 80.29 -52.89 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 110.415 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -45.94 -70.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.329 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.3 t -145.05 -143.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.359 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 63.0 m -122.28 177.11 5.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.972 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.471 HD21 ' CG2' ' A' ' 14' ' ' ILE . 0.9 OUTLIER -63.91 -58.93 5.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.274 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 53' ' ' LEU . 94.0 p -38.44 -54.2 1.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.997 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -39.77 -42.78 1.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.288 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . -77.35 -42.63 35.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 50' ' ' SER . 45.3 mt -57.95 -32.58 67.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -66.01 -47.38 74.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.443 ' OD1' ' NH1' ' A' ' 58' ' ' ARG . 5.7 t70 -70.36 -20.07 63.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.442 ' CG1' ' HB3' ' A' ' 61' ' ' SER . 70.0 t -71.14 -40.67 75.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -50.67 8.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.994 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.443 ' NH1' ' OD1' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -64.23 -36.54 84.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.416 ' N ' ' HG2' ' A' ' 58' ' ' ARG . . . -66.66 -29.53 74.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.562 1.164 . . . . 0.0 111.031 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.35 -19.95 11.45 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.442 ' HB3' ' CG1' ' A' ' 56' ' ' VAL . 0.1 OUTLIER -43.72 111.03 1.04 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.53 0.782 . . . . 0.0 109.978 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.427 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.3 Cg_endo -74.99 -37.5 2.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.536 1.808 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.456 ' CD1' HG12 ' A' ' 81' ' ' ILE . 9.9 m-30 -115.61 146.32 41.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -137.9 124.42 20.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.471 ' CG2' HD11 ' A' ' 67' ' ' ILE . 9.6 mt -101.52 133.89 43.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.699 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 0.8 OUTLIER -101.26 134.32 41.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.471 HD11 ' CG2' ' A' ' 65' ' ' ILE . 4.1 mm -127.82 153.82 37.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 178.42 175.04 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.389 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.08 -64.56 0.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -50.85 -65.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.316 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.699 ' CE1' ' CG1' ' A' ' 66' ' ' VAL . 38.4 m80 -39.2 -39.8 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.606 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.513 ' HA ' ' CZ ' ' A' ' 23' ' ' TYR . 4.1 tt0 -65.48 -51.83 57.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.339 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.4 mt -59.53 -52.95 54.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -73.05 -5.24 37.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.644 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.0 mmt-85 52.88 23.44 2.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 54.1 p -122.82 139.45 54.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 110.044 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 2.7 p -116.18 172.12 7.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 108.27 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 29.4 m -108.13 114.71 28.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 110.411 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 59.2 t -89.9 129.18 41.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 61.1 m-20 -133.7 113.39 12.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.456 HG12 ' CD1' ' A' ' 63' ' ' PHE . 19.6 mt -79.13 149.96 5.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.427 ' N ' ' O ' ' A' ' 62' ' ' PRO . 10.3 mmt -114.46 -24.14 8.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -101.5 153.72 19.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 110.999 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 50.72 -166.86 0.52 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 84' ' ' GLY . 40.3 m -38.27 118.42 0.99 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 110.403 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 102.86 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.481 1.78 . . . . 0.0 110.972 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.587 ' OE1' ' CE1' ' A' ' 89' ' ' HIS . 2.6 mm-40 -109.91 110.73 21.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.352 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -97.5 100.69 12.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.587 ' CE1' ' OE1' ' A' ' 87' ' ' GLN . 96.3 m-70 -91.83 114.72 27.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.582 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 29.8 mtt85 -93.79 138.39 32.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.331 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 48.39 88.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.422 ' CE ' ' OD1' ' A' ' 96' ' ' ASP . 10.1 mtp -121.97 138.3 28.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 94' ' ' GLN . 18.3 Cg_endo -74.98 134.4 17.8 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.496 1.787 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.462 ' CG ' HG21 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -38.37 -63.04 0.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -38.4 -72.86 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.422 ' OD1' ' CE ' ' A' ' 92' ' ' MET . 8.5 t70 -44.77 -53.66 7.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.353 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -47.58 -49.58 26.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 35.6 mmt -60.3 -24.84 65.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.963 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.424 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.5 OUTLIER -86.54 -47.72 16.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.416 ' O ' ' ND2' ' A' ' 104' ' ' ASN . 0.0 OUTLIER -60.23 -28.5 68.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.494 ' O ' ' CB ' ' A' ' 105' ' ' TYR . 0.8 OUTLIER -84.51 -49.11 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.493 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -63.08 -27.17 69.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.424 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 6.9 mmm180 -81.42 -65.05 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.416 ' ND2' ' O ' ' A' ' 100' ' ' LEU . 5.5 m-80 -49.48 -45.43 46.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.529 ' CE1' ' HD3' ' A' ' 109' ' ' LYS . 12.8 t80 -50.45 -52.88 34.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.951 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -51.58 -51.2 57.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.413 ' HA ' ' ND2' ' A' ' 110' ' ' ASN . 0.0 OUTLIER -57.0 -60.13 4.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -46.32 -44.7 16.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.529 ' HD3' ' CE1' ' A' ' 105' ' ' TYR . 1.2 ttpp -63.79 -47.84 79.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.413 ' ND2' ' HA ' ' A' ' 107' ' ' ARG . 58.5 m-20 -47.99 -33.28 7.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -93.67 -25.6 17.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 9.3 t -69.29 -54.73 13.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 108.267 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -43.78 -58.63 2.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 69.68 162.28 0.22 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.548 1.155 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -43.56 165.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.355 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 65.63 151.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.28 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.9 106.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -45.49 170.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -119.68 39.07 3.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 3.6 mt -41.02 142.92 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.105 . . . . 0.0 109.252 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -165.8 167.36 17.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.38 136.42 46.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.334 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -179.05 87.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -174.97 136.83 0.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.02 157.1 44.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.972 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -126.06 143.01 14.12 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -59.22 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.518 1.799 . . . . 0.0 111.037 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 12.0 m -128.83 176.78 7.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.996 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.2 m -108.03 167.94 9.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.947 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -179.24 123.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 0.746 . . . . 0.0 110.027 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -146.65 133.54 20.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 0.0 109.967 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.08 70.27 2.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -175.05 99.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 0.737 . . . . 0.0 109.962 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.9 m -133.63 95.05 3.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.99 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.9 156.89 26.98 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.539 1.149 . . . . 0.0 110.967 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 125.62 9.4 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.439 1.758 . . . . 0.0 110.962 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.2 t -131.7 116.49 31.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.16 -46.18 5.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.8 t -144.0 107.55 4.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 108.249 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.98 127.03 40.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 109.996 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.437 ' CG1' HG13 ' A' ' 67' ' ' ILE . 89.8 t -86.8 121.23 37.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.468 ' CG2' HD21 ' A' ' 49' ' ' LEU . 2.6 mm -98.18 113.53 33.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.46 ' CG2' ' O ' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -128.73 95.92 2.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.1 m -65.75 -44.44 93.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.46 ' O ' ' CG2' ' A' ' 15' ' ' VAL . 2.2 t-20 -76.49 170.9 15.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.59 -29.02 8.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -50.65 -42.07 56.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.265 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.3 p -83.33 49.41 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.395 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -86.17 -50.54 6.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.252 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -75.94 -17.53 59.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.418 ' CE2' ' HA ' ' A' ' 72' ' ' GLN . 37.4 t80 -84.96 -63.94 1.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 111.044 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.81 -33.65 36.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.525 ' CG ' ' CD2' ' A' ' 40' ' ' LEU . 5.7 mt-10 -63.12 -12.19 25.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 29' ' ' ARG . 24.5 t -89.15 -68.95 0.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.989 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -46.75 -26.78 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.504 ' O ' ' CG1' ' A' ' 38' ' ' VAL . . . -75.19 -37.23 43.15 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.45 1.094 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.4 ptt-85 -81.88 -28.34 32.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 110.33 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -59.5 -34.98 73.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.457 ' HB ' ' CG2' ' A' ' 38' ' ' VAL . 74.7 t -74.65 -26.37 19.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 -74.67 -31.35 61.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -61.27 -15.44 35.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.21 -11.77 29.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.65 30.36 7.67 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.135 . . . . 0.0 111.065 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 95.6 mtp -114.67 136.2 53.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 0.779 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 49.7 t -66.39 120.63 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.504 ' CG1' ' O ' ' A' ' 28' ' ' GLY . 35.9 t -128.85 152.5 37.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -146.47 167.48 23.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.525 ' CD2' ' CG ' ' A' ' 25' ' ' GLU . 1.5 mp -116.96 128.97 55.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.9 mt -113.4 102.89 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -93.31 114.69 27.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.1 63.07 0.62 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -73.12 97.47 2.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 61.6 m 55.6 33.31 20.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.36 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -88.66 -92.09 0.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.262 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.3 t -127.9 -144.24 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.1 m -108.4 157.16 18.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.997 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.468 HD21 ' CG2' ' A' ' 14' ' ' ILE . 0.8 OUTLIER -48.82 -58.83 4.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 53' ' ' LEU . 96.3 p -39.46 -55.04 1.86 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.004 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.3 -41.78 0.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 110.279 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . -76.64 -43.02 39.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 50' ' ' SER . 51.2 mt -58.9 -28.89 66.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -70.81 -47.95 56.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -67.71 -23.3 65.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.45 HG12 ' CB ' ' A' ' 61' ' ' SER . 36.7 t -62.68 -56.6 16.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.43 -60.9 2.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.0 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.421 ' HG2' ' N ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -52.24 -41.52 62.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.421 ' N ' ' HG2' ' A' ' 58' ' ' ARG . . . -64.59 -26.63 71.03 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.518 1.136 . . . . 0.0 110.972 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.88 -33.36 4.62 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.45 ' CB ' HG12 ' A' ' 56' ' ' VAL . 1.1 m -39.07 107.29 0.42 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.552 0.795 . . . . 0.0 109.985 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.429 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.3 Cg_endo -75.0 -34.75 3.58 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.48 1.779 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.571 ' CE1' HG12 ' A' ' 81' ' ' ILE . 15.6 m-30 -115.58 137.83 51.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -132.08 123.04 26.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 109.331 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.47 ' CG2' HD13 ' A' ' 67' ' ' ILE . 22.7 mt -95.41 134.33 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.555 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 0.5 OUTLIER -99.03 132.41 44.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.47 HD13 ' CG2' ' A' ' 65' ' ' ILE . 4.1 mm -128.89 149.37 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 69' ' ' GLN . 5.2 t -174.49 155.71 2.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 110.376 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -38.52 -65.27 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.282 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -44.06 -61.19 1.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.555 ' CE1' ' CG1' ' A' ' 66' ' ' VAL . 8.9 m170 -41.91 -55.18 3.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.608 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.418 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 3.9 tt0 -39.09 -45.22 1.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.26 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 16.6 mt -57.95 -54.78 27.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 39.2 m-70 -74.58 -2.91 28.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.634 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.482 ' N ' ' O ' ' A' ' 71' ' ' HIS . 0.0 OUTLIER 49.07 23.1 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.326 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.69 159.11 22.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.997 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 3.6 p -133.45 175.36 9.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 108.298 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.421 ' HB ' ' CG1' ' A' ' 66' ' ' VAL . 22.7 m -113.43 112.9 24.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 110.407 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 61.3 t -90.18 113.63 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -116.59 116.72 28.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.571 HG12 ' CE1' ' A' ' 63' ' ' PHE . 47.1 mt -79.52 149.67 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.429 ' N ' ' O ' ' A' ' 62' ' ' PRO . 9.6 mmt -114.64 -23.72 9.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.419 ' O ' ' CG2' ' A' ' 81' ' ' ILE . 0.5 OUTLIER -105.93 152.89 22.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.04 -171.74 34.84 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.471 ' CG2' ' HD2' ' A' ' 86' ' ' PRO . 2.5 m -40.49 146.56 0.43 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 110.407 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.471 ' HD2' ' CG2' ' A' ' 85' ' ' THR . 18.3 Cg_endo -75.03 91.05 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.481 1.779 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.61 114.47 28.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.329 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -113.83 113.45 24.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.31 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -100.37 119.45 38.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.61 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.7 mtt-85 -107.44 134.76 50.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 57.74 90.41 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 22.1 mmm -133.7 136.48 26.78 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 144.39 30.13 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.449 1.763 . . . . 0.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -37.97 -70.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 98' ' ' MET . . . -37.81 -70.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -42.28 -46.15 4.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.0 -43.26 95.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -66.21 -28.96 69.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -82.57 -44.66 19.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.35 -30.52 71.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.8 OUTLIER -83.87 -48.04 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.475 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -61.42 -34.66 75.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.3 mmm180 -73.9 -59.47 2.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 110.326 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -54.3 -49.63 69.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.507 ' CE1' ' HD3' ' A' ' 109' ' ' LYS . 17.2 t80 -46.32 -53.22 11.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -42.36 -54.78 3.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 110.329 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 110' ' ' ASN . 0.0 OUTLIER -64.37 -56.22 15.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.27 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -39.51 -39.78 0.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.958 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.507 ' HD3' ' CE1' ' A' ' 105' ' ' TYR . 0.2 OUTLIER -67.56 -48.29 67.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 107' ' ' ARG . 20.0 m-20 -47.55 -34.56 7.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -93.59 -24.28 17.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 34.4 t -60.32 -56.64 19.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.135 . . . . 0.0 108.288 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.26 -55.08 3.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -77.17 92.74 3.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.1 -178.13 7.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -115.79 131.96 56.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 58.9 114.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 110.323 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -43.32 152.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.241 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.47 -8.69 49.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.412 ' CG2' ' N ' ' A' ' 121' ' ' ALA . 9.2 mt -105.13 -113.87 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.412 ' N ' ' CG2' ' A' ' 120' ' ' ILE . . . 41.87 68.56 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -48.44 113.76 0.82 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.56 169.82 8.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.23 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -48.7 153.04 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 57.8 p -176.04 92.91 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.978 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -135.34 100.77 0.37 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 101.15 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.557 1.819 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.65 164.83 25.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.037 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.01 -55.23 3.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.001 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.05 106.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 109.992 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 55.74 177.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.022 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.2 176.1 31.69 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.482 1.113 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -45.13 143.12 1.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 0.747 . . . . 0.0 110.013 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.9 m -44.07 104.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.954 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.02 163.82 30.98 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.441 1.088 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 150.54 38.29 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.491 1.785 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.417 ' CG1' ' N ' ' A' ' 10' ' ' ASP . 9.7 t -119.55 159.37 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.417 ' N ' ' CG1' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -91.0 -43.86 9.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -142.03 111.99 6.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 108.247 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.46 131.21 36.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.032 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.9 t -92.29 124.94 44.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.442 ' CG2' HD21 ' A' ' 49' ' ' LEU . 2.3 mm -110.25 111.02 34.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.61 106.63 20.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.6 m -91.64 -32.52 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.459 ' CG ' ' N ' ' A' ' 18' ' ' LYS . 12.8 t-20 -51.32 164.41 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.459 ' N ' ' CG ' ' A' ' 17' ' ' ASN . 8.4 tptt -69.72 -81.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -94.87 100.03 11.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -152.62 23.51 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.409 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 42' ' ' PHE . 8.0 ttmt -70.94 -62.87 1.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -44.4 -39.0 4.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.429 ' CE1' ' HA ' ' A' ' 72' ' ' GLN . 44.7 t80 -75.02 -65.18 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.22 -49.0 23.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.482 ' CG ' HD21 ' A' ' 40' ' ' LEU . 53.2 mt-10 -50.9 -21.29 1.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 29' ' ' ARG . 5.0 t -83.45 -68.22 0.73 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.036 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.466 HG11 ' CD1' ' A' ' 67' ' ' ILE . 0.3 OUTLIER -49.6 -26.96 2.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.508 ' O ' ' CG1' ' A' ' 38' ' ' VAL . . . -75.58 -26.66 64.86 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -91.07 -35.14 14.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 110.312 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.87 -39.15 24.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.466 ' HB ' ' CG2' ' A' ' 38' ' ' VAL . 60.6 t -72.38 -29.53 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 29' ' ' ARG . 30.8 mtp180 -71.88 -31.77 66.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.336 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -59.88 -19.41 51.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.84 -11.62 41.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.11 25.57 12.57 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.125 . . . . 0.0 110.995 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 89.8 mtp -108.74 136.69 47.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 0.772 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.6 t -66.62 126.85 26.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.508 ' CG1' ' O ' ' A' ' 28' ' ' GLY . 96.4 t -136.59 149.19 26.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -135.34 168.09 19.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.482 HD21 ' CG ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -121.08 126.22 49.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.5 mt -114.48 114.05 45.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.562 ' CZ ' ' HB2' ' A' ' 21' ' ' LYS . 47.7 m-85 -103.16 121.33 42.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.5 mt -89.41 -72.33 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.34 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 45' ' ' THR . 1.6 t-20 55.63 91.41 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 44' ' ' ASN . 16.5 p 38.61 63.9 0.82 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 0.0 110.445 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -122.99 -75.55 0.6 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.448 HG11 ' CG ' ' A' ' 51' ' ' GLN . 1.6 t -140.54 -145.23 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.2 t -112.14 150.19 31.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 110.016 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.442 HD21 ' CG2' ' A' ' 14' ' ' ILE . 0.9 OUTLIER -40.47 -57.81 1.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 53' ' ' LEU . 94.6 p -39.24 -55.29 1.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.015 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.448 ' CG ' HG11 ' A' ' 47' ' ' VAL . 1.6 tp60 -39.14 -39.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . -80.33 -43.32 21.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 50' ' ' SER . 68.2 mt -57.92 -32.68 67.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -67.52 -39.17 85.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.85 -26.16 62.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.435 HG11 ' CB ' ' A' ' 61' ' ' SER . 15.5 t -64.3 -72.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -45.06 -63.92 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.01 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.425 ' HG2' ' N ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER -52.92 -37.96 61.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.425 ' N ' ' HG2' ' A' ' 58' ' ' ARG . . . -66.25 -22.86 71.27 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.491 1.12 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 114.44 -33.53 5.35 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.435 ' CB ' HG11 ' A' ' 56' ' ' VAL . 0.4 OUTLIER -39.47 112.87 0.8 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.543 0.79 . . . . 0.0 110.029 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -39.34 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.561 1.821 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.568 ' CE1' HG12 ' A' ' 81' ' ' ILE . 14.4 m-30 -113.76 147.05 38.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.123 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -137.05 125.76 23.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.355 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.472 ' CG2' HD12 ' A' ' 67' ' ' ILE . 4.6 mt -95.33 129.85 44.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.602 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 1.2 t -95.31 123.18 47.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.472 HD12 ' CG2' ' A' ' 65' ' ' ILE . 6.4 mm -122.55 157.46 27.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.417 HG22 ' ND1' ' A' ' 71' ' ' HIS . 11.0 t -174.09 -158.42 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.419 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.423 ' HG3' ' ND2' ' A' ' 17' ' ' ASN . 2.7 tt0 -73.66 -63.44 1.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' A' ' 73' ' ' ILE . 0.0 OUTLIER -54.02 -54.43 39.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.278 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.602 ' CE1' ' CG1' ' A' ' 66' ' ' VAL . 27.9 m170 -43.94 -32.39 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.639 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.429 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 1.4 tt0 -74.71 -44.21 51.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.264 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 70' ' ' GLN . 64.5 mt -61.19 -47.22 94.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -85.47 -10.1 56.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.61 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 71' ' ' HIS . 0.0 OUTLIER 58.04 30.67 19.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.459 ' O ' ' CD2' ' A' ' 71' ' ' HIS . 57.5 p -123.91 137.46 54.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.031 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.5 p -120.05 174.3 6.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 108.281 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.0 m -113.25 116.78 30.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 110.437 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.457 HG11 ' CD2' ' A' ' 100' ' ' LEU . 60.0 t -90.41 119.59 37.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -117.64 120.73 38.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.568 HG12 ' CE1' ' A' ' 63' ' ' PHE . 37.1 mt -83.45 143.09 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.0 mmt -107.01 -28.76 9.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.593 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -95.89 149.78 21.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.958 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.04 -169.64 38.79 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.474 ' CG2' ' HD2' ' A' ' 86' ' ' PRO . 2.4 m -43.17 146.5 0.82 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 110.406 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 85' ' ' THR . 18.3 Cg_endo -75.04 99.12 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.529 1.805 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -112.68 115.95 29.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -112.7 107.12 15.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.569 ' CD2' HD12 ' A' ' 100' ' ' LEU . 63.1 m-70 -94.47 110.57 22.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.639 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 45.6 mtp180 -101.56 135.58 42.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.8 m120 58.57 92.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 11.2 mmm -141.66 137.21 16.07 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.542 1.152 . . . . 0.0 110.939 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 148.6 35.53 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.476 1.777 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.421 ' NE2' ' CG2' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -49.8 -65.88 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.348 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -39.08 -42.41 0.91 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 99' ' ' VAL . 0.4 OUTLIER -71.08 -56.61 5.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -49.38 -28.36 4.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.457 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 29.7 mmt -73.81 -30.18 62.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.445 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.3 OUTLIER -80.92 -41.77 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.569 HD12 ' CD2' ' A' ' 89' ' ' HIS . 0.1 OUTLIER -65.07 -28.67 69.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.501 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.6 OUTLIER -88.63 -49.85 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.501 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -58.76 -36.5 74.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.445 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 2.2 mmt85 -73.19 -71.3 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 100' ' ' LEU . 7.0 m-80 -41.88 -57.62 2.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.481 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 13.6 t80 -38.13 -58.12 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -42.39 -56.85 2.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -55.68 25.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -40.52 -48.38 2.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.98 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 112' ' ' CYS . 3.7 mtmt -59.35 -48.63 80.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -46.17 -34.63 4.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -93.27 -25.3 17.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . 0.4 ' N ' ' O ' ' A' ' 109' ' ' LYS . 7.0 t -63.4 -52.32 62.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 108.286 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -42.79 -53.76 4.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 0.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -54.7 102.22 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.23 178.27 2.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.5 -57.13 9.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.25 13.22 5.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.34 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -39.3 155.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.325 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -111.92 37.37 2.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 71.7 mt -109.42 115.27 49.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -173.49 96.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.64 166.89 10.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.425 1.078 . . . . 0.0 110.331 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -140.52 -57.74 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . 62.05 71.62 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 9.8 t 63.05 140.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.011 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -146.27 116.0 0.84 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.478 1.111 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 129.41 12.29 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.444 1.76 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.11 90.84 4.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.967 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 92.9 p -149.55 81.46 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.036 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.6 t -177.59 137.63 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 0.784 . . . . 0.0 109.995 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.5 t -152.9 159.51 42.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.595 1.184 . . . . 0.0 109.994 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.99 -139.44 10.37 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.556 1.16 . . . . 0.0 110.978 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 56.37 81.27 0.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.553 0.796 . . . . 0.0 110.002 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -126.24 102.98 7.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.579 1.175 . . . . 0.0 110.01 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.25 -162.71 34.77 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.537 1.148 . . . . 0.0 110.964 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 159.64 41.27 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 110.985 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.8 t -124.08 128.48 74.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.84 -45.8 71.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.348 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 t -141.74 107.61 5.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 108.266 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.11 125.21 36.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 110.039 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.423 ' CG1' HG13 ' A' ' 67' ' ' ILE . 62.5 t -88.62 115.36 28.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.44 ' CG2' HD22 ' A' ' 49' ' ' LEU . 3.9 mm -93.89 112.11 26.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 17' ' ' ASN . 0.9 OUTLIER -126.07 95.8 3.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.9 m -72.42 -29.91 32.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.499 ' O ' ' CG2' ' A' ' 15' ' ' VAL . 14.2 m-80 -95.26 122.14 37.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -66.09 -40.26 90.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.5 -41.75 1.5 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.344 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.428 ' CG2' ' HB2' ' A' ' 72' ' ' GLN . 1.3 p -88.61 65.09 7.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.388 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -90.52 -54.56 3.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -65.79 -56.24 12.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.497 ' CE2' ' HA ' ' A' ' 72' ' ' GLN . 4.7 t80 -42.39 -49.61 5.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.27 -41.68 73.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.15 -21.61 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 29' ' ' ARG . 5.6 t -84.51 -67.79 0.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 109.978 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 26' ' ' SER . 0.3 OUTLIER -39.14 -32.76 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.422 ' CA ' HG11 ' A' ' 38' ' ' VAL . . . -73.82 -49.64 13.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 26' ' ' SER . 2.1 ptm180 -64.82 -26.74 68.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -63.69 -42.72 97.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.269 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.463 ' HB ' ' CG2' ' A' ' 38' ' ' VAL . 60.1 t -70.5 -25.99 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 0.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.7 mtm180 -74.99 -34.83 62.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -59.22 -17.98 32.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.418 ' CD1' ' HA ' ' A' ' 31' ' ' VAL . 0.9 OUTLIER -90.49 -10.55 43.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.15 31.37 8.09 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.529 1.143 . . . . 0.0 110.966 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.605 ' SD ' ' CE1' ' A' ' 105' ' ' TYR . 32.4 mmm -116.61 139.03 50.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 0.734 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.2 t -67.34 128.37 30.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.463 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 23.6 t -131.72 148.09 32.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -139.02 167.53 21.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -123.62 125.37 44.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.0 mt -110.85 106.06 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -92.1 116.0 28.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -115.81 73.4 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -56.16 -42.83 77.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.5 m -156.73 -47.28 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.423 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.465 ' O ' ' CG2' ' A' ' 47' ' ' VAL . 12.8 mt-10 -43.71 135.15 4.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.103 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.465 ' CG2' ' O ' ' A' ' 46' ' ' GLU . 9.2 m 47.98 -159.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 55.4 m -144.29 -176.04 4.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.993 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.44 HD22 ' CG2' ' A' ' 14' ' ' ILE . 0.4 OUTLIER -57.3 -59.71 4.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 53' ' ' LEU . 78.9 p -45.52 -56.14 5.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.94 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -43.84 -36.56 2.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.268 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.446 ' O ' ' CG2' ' A' ' 56' ' ' VAL . . . -79.11 -37.88 37.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 50' ' ' SER . 33.4 mt -59.16 -29.7 67.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -71.89 -55.11 8.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.434 ' HA ' ' CG ' ' A' ' 58' ' ' ARG . 2.0 t70 -59.63 -23.45 63.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.446 ' CG2' ' O ' ' A' ' 52' ' ' ALA . 41.6 t -64.59 -65.03 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.8 t -66.53 -55.56 14.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.021 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.445 ' CD ' ' C ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -51.67 -26.05 8.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.428 ' N ' ' HG3' ' A' ' 58' ' ' ARG . . . -83.43 -32.12 25.97 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 129.9 -29.31 3.76 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 73.9 m -38.79 113.35 0.76 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 0.78 . . . . 0.0 110.04 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.2 Cg_endo -75.02 -45.66 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.78 . . . . 0.0 110.968 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.493 ' CE1' HG12 ' A' ' 81' ' ' ILE . 11.8 m-30 -113.95 143.82 44.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -140.22 124.67 17.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.411 HG23 ' N ' ' A' ' 66' ' ' VAL . 49.5 mt -95.72 142.26 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.53 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 0.4 OUTLIER -104.8 128.5 58.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.437 ' N ' ' O ' ' A' ' 14' ' ' ILE . 4.3 mm -125.49 147.92 30.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.337 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.4 t -173.77 160.56 3.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.374 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.86 -60.58 2.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -46.33 -47.84 18.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.333 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.53 ' CE1' ' CG1' ' A' ' 66' ' ' VAL . 9.1 m170 -59.3 -39.82 84.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.598 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.497 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 12.0 tt0 -56.16 -21.0 20.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.3 mt -87.19 -49.76 14.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -76.13 -2.88 33.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.612 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 71' ' ' HIS . 3.1 mmm180 46.09 38.08 4.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.294 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.2 p -132.83 159.64 39.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.167 . . . . 0.0 110.008 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -129.4 175.63 8.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 108.319 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.463 ' HB ' ' CG1' ' A' ' 66' ' ' VAL . 53.3 m -121.11 109.55 15.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.413 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 88.3 t -89.64 126.84 42.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 61.5 m-20 -130.4 114.97 16.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.493 HG12 ' CE1' ' A' ' 63' ' ' PHE . 55.5 mt -75.05 150.34 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 62' ' ' PRO . 4.7 mmt -125.91 0.65 7.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.96 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.42 ' O ' ' O ' ' A' ' 84' ' ' GLY . 0.3 OUTLIER -131.02 141.69 50.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 111.009 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' A' ' 85' ' ' THR . . . 52.76 106.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.437 ' O ' ' O ' ' A' ' 84' ' ' GLY . 22.1 m 56.23 113.19 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.485 0.756 . . . . 0.0 110.421 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 92.83 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.427 1.751 . . . . 0.0 111.045 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -107.89 152.6 24.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.345 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -136.92 107.21 6.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.545 ' CD2' HD13 ' A' ' 100' ' ' LEU . 91.6 m-70 -95.99 114.52 26.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.583 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.8 mtm180 -108.59 145.95 34.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.334 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 42.8 m-20 58.53 80.85 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 17.2 mmm -134.5 134.38 22.35 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 137.33 21.62 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.447 1.762 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -38.77 -64.49 0.44 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.446 1.092 . . . . 0.0 110.271 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -37.74 -56.7 1.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -60.79 -50.68 72.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.316 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -50.47 -37.58 39.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 30.5 mmt -69.06 -26.5 64.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.496 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.4 OUTLIER -86.2 -43.56 16.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.246 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.545 HD13 ' CD2' ' A' ' 89' ' ' HIS . 0.0 OUTLIER -62.69 -28.04 69.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.476 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.8 OUTLIER -85.66 -47.83 16.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.476 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -63.18 -34.61 78.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 5.4 mmm-85 -70.2 -68.81 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -44.11 -51.02 8.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.605 ' CE1' ' SD ' ' A' ' 36' ' ' MET . 9.2 t80 -47.7 -55.39 9.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -44.07 -60.43 1.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.272 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.42 ' NH1' ' OE2' ' A' ' 111' ' ' GLU . 0.0 OUTLIER -48.46 -57.93 5.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -48.37 -42.12 30.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.516 ' HD3' ' CZ ' ' A' ' 105' ' ' TYR . 0.7 OUTLIER -65.05 -47.76 76.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -46.92 -32.83 4.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.42 ' OE2' ' NH1' ' A' ' 107' ' ' ARG . 45.2 mt-10 -92.93 -26.13 17.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 25.5 t -59.58 -62.82 1.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 108.307 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -42.77 -50.72 5.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.49 94.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.18 178.37 1.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 117' ' ' ARG . 3.5 mm-40 -43.0 115.83 0.8 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.342 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 116' ' ' GLU . 37.4 mtt85 -35.46 108.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -46.8 157.64 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.299 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -115.19 35.32 4.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 88.3 mt -106.93 142.95 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 52.92 176.34 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.62 103.43 6.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 64.52 102.19 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.242 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -91.44 173.49 7.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.6 t -99.83 159.21 15.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 162.23 75.59 0.03 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.132 . . . . 0.0 110.972 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -56.09 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.512 1.796 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.28 146.32 42.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.018 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.2 m -124.49 103.99 8.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 -179.964 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 m -150.31 -46.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 0.783 . . . . 0.0 109.984 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 4' ' ' GLY . 0.7 OUTLIER 64.67 -89.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.959 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -37.91 141.58 0.36 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.116 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.22 -59.34 2.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 0.782 . . . . 0.0 109.992 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.4 t -163.39 83.14 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.982 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.82 -172.68 20.24 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 166.07 30.0 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.529 1.805 . . . . 0.0 111.031 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.7 t -138.07 115.57 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.76 -46.4 10.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.5 t -148.83 114.52 5.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 108.273 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.2 m -96.55 128.15 43.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.464 ' CG1' HG13 ' A' ' 67' ' ' ILE . 84.7 t -86.73 120.49 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.1 mm -97.22 112.93 30.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.257 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.418 ' CG2' ' O ' ' A' ' 17' ' ' ASN . 0.9 OUTLIER -125.66 102.86 10.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.127 . . . . 0.0 109.268 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.46 ' CG1' HD11 ' A' ' 43' ' ' LEU . 10.2 m -80.28 -28.28 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.418 ' O ' ' CG2' ' A' ' 15' ' ' VAL . 15.3 m120 -100.15 121.83 42.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -62.75 -40.78 98.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 0.0 109.328 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.93 -43.32 2.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.43 HG23 ' CG ' ' A' ' 72' ' ' GLN . 1.2 p -82.97 55.86 3.25 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.521 1.138 . . . . 0.0 110.434 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.515 ' O ' ' CG ' ' A' ' 25' ' ' GLU . 14.5 tttt -89.62 -67.48 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.92 -39.59 54.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -67.17 -64.41 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.951 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.38 -35.76 52.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.515 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 5.4 mm-40 -61.75 -21.54 64.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 29' ' ' ARG . 8.3 t -80.78 -68.01 0.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.042 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -44.43 -32.69 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.415 ' CA ' HG22 ' A' ' 13' ' ' VAL . . . -73.7 -39.23 49.0 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 26' ' ' SER . 4.6 ptm180 -78.52 -22.01 47.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 0.764 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -68.82 -37.29 79.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.483 HG11 ' CG2' ' A' ' 38' ' ' VAL . 68.4 t -72.46 -20.57 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.6 mtp180 -80.58 -32.11 36.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -59.72 -17.35 34.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.38 -12.53 34.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.3 4.85 54.94 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 56.6 mtp -88.42 134.45 33.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 0.791 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.5 t -65.69 128.36 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.483 ' CG2' HG11 ' A' ' 31' ' ' VAL . 36.4 t -130.54 150.18 34.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -138.36 168.69 19.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.547 HD23 ' CE2' ' A' ' 42' ' ' PHE . 1.8 mp -125.64 127.95 47.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 20.6 mt -115.8 99.97 9.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.547 ' CE2' HD23 ' A' ' 40' ' ' LEU . 39.7 m-85 -89.36 115.71 27.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.46 HD11 ' CG1' ' A' ' 16' ' ' VAL . 0.5 OUTLIER -107.8 58.17 0.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.266 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -44.08 -67.51 0.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.6 m -149.38 69.24 1.04 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.406 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -118.69 -90.02 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.451 ' CG1' ' HG2' ' A' ' 51' ' ' GLN . 1.4 t -122.62 -143.55 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.0 t -107.78 176.02 5.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.977 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.423 ' C ' ' CD2' ' A' ' 49' ' ' LEU . 0.6 OUTLIER -65.77 -53.33 41.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 96.7 p -47.16 -46.64 23.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.023 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.451 ' HG2' ' CG1' ' A' ' 47' ' ' VAL . 2.4 tp-100 -45.99 -35.51 4.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.331 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.475 ' O ' ' CG2' ' A' ' 56' ' ' VAL . . . -79.67 -40.02 30.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 44.9 mt -58.94 -39.44 81.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -63.0 -38.18 90.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.285 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.33 -27.06 35.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.475 ' CG2' ' O ' ' A' ' 52' ' ' ALA . 52.5 t -60.3 -44.0 94.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 60' ' ' GLY . 0.0 OUTLIER -66.7 -66.46 0.55 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 110.063 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.42 ' HB2' ' NH1' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -46.28 -36.37 6.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.404 ' N ' ' CG ' ' A' ' 58' ' ' ARG . . . -62.94 -31.98 82.43 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 57' ' ' SER . . . 118.79 -30.53 5.88 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.441 ' HB2' ' CG1' ' A' ' 56' ' ' VAL . 0.7 OUTLIER -38.54 110.28 0.55 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 110.04 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.2 Cg_endo -75.0 -34.84 3.51 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.492 1.785 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 15.8 m-30 -115.99 149.13 39.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 111.059 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.77 126.75 14.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.48 ' CG2' HD13 ' A' ' 67' ' ' ILE . 27.5 mt -100.43 139.56 21.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.6 HG13 ' CE1' ' A' ' 71' ' ' HIS . 0.4 OUTLIER -100.33 132.38 46.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.48 HD13 ' CG2' ' A' ' 65' ' ' ILE . 6.4 mm -129.08 147.38 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -175.93 176.11 1.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.386 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -49.73 -65.43 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 73' ' ' ILE . 2.9 mm100 -49.06 -66.78 0.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.6 ' CE1' HG13 ' A' ' 66' ' ' VAL . 36.8 m80 -37.43 -35.87 0.14 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.588 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.43 ' CG ' HG23 ' A' ' 20' ' ' THR . 8.4 tt0 -62.46 -55.47 27.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 70' ' ' GLN . 6.0 mt -57.3 -59.59 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -62.52 -17.66 60.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.621 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 71' ' ' HIS . 5.8 mtp180 58.91 31.46 21.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.4 p -124.71 140.36 53.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.989 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 3.1 m -117.15 176.6 5.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 108.305 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.6 m -117.7 118.61 32.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.418 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.441 ' CG1' HD23 ' A' ' 100' ' ' LEU . 60.0 t -89.63 107.89 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -111.92 110.94 21.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 58.1 mt -79.28 149.66 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 62' ' ' PRO . 7.6 mmt -113.75 -24.83 8.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.57 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -98.39 151.07 20.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 67.51 -157.54 51.79 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.534 1.146 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.477 ' CG2' ' HD2' ' A' ' 86' ' ' PRO . 2.6 m -57.42 146.52 63.2 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 110.445 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 85' ' ' THR . 18.2 Cg_endo -75.02 99.07 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.528 1.804 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -114.7 109.4 18.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.262 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -108.58 97.69 7.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -83.3 109.94 17.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.596 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.7 mtp-105 -94.06 132.56 38.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.6 t30 66.96 89.24 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 39.0 mtp -131.74 131.41 22.72 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 94' ' ' GLN . 18.3 Cg_endo -75.03 139.98 24.83 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.578 1.831 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -37.76 -65.68 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 110.339 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -38.55 -72.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 99' ' ' VAL . 1.0 OUTLIER -45.12 -52.46 9.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -49.78 -41.39 44.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 27.6 mmt -72.57 -22.26 61.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.508 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.4 OUTLIER -86.08 -50.13 14.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.474 ' N ' ' CG1' ' A' ' 99' ' ' VAL . 0.1 OUTLIER -54.23 -41.28 68.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.426 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.5 OUTLIER -68.43 -45.1 82.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.426 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -71.12 -14.12 62.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.508 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 8.4 mmm-85 -88.18 -55.74 3.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.415 ' CG ' ' O ' ' A' ' 100' ' ' LEU . 2.7 m120 -58.28 -56.56 20.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.489 ' CZ ' ' HE2' ' A' ' 109' ' ' LYS . 29.6 t80 -37.77 -48.73 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.405 ' O ' ' OD1' ' A' ' 110' ' ' ASN . 7.1 mm-40 -50.13 -58.58 5.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 110' ' ' ASN . 0.0 OUTLIER -68.45 -51.12 47.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -44.72 -29.81 0.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 111.027 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.489 ' HE2' ' CZ ' ' A' ' 105' ' ' TYR . 3.6 mtmt -78.54 -40.94 33.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.251 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 107' ' ' ARG . 12.3 m-20 -47.21 -37.55 10.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -91.15 -24.88 19.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.577 1.173 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 20.8 t -58.57 -56.19 25.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 108.279 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.99 -47.6 4.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.406 ' O ' ' CB ' ' A' ' 115' ' ' LYS . 18.8 tt0 -51.93 102.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.309 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.406 ' CB ' ' O ' ' A' ' 114' ' ' GLU . 0.0 OUTLIER 81.22 135.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.405 ' CB ' ' O ' ' A' ' 115' ' ' LYS . 3.3 tt0 79.22 -59.67 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 2.1 mmt85 62.86 141.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -48.52 177.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.348 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -116.14 28.72 8.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.276 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 54.6 mt -76.74 107.37 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -67.37 160.08 28.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -54.24 143.21 23.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 70.91 137.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 110.326 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -165.78 -54.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.9 163.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.966 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -177.22 -177.97 46.54 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.536 1.148 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 126.99 10.31 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.439 1.757 . . . . 0.0 111.002 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.87 -59.39 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.036 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 25.1 m -109.67 124.83 51.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.971 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.11 . . . . 0.0 110.955 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 m -150.56 95.7 2.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 0.739 . . . . 0.0 110.018 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.5 m 59.66 152.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.997 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.72 -76.8 1.06 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.458 1.099 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.1 t 62.35 111.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 0.762 . . . . 0.0 109.979 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t -107.25 -60.81 1.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.987 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.19 -179.71 21.82 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 149.72 37.2 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.494 1.786 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.477 ' CG1' ' O ' ' A' ' 11' ' ' CYS . 73.1 t -126.96 102.71 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -40.23 -39.76 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.477 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 41.8 t -143.87 121.29 11.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 108.309 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.3 m -104.51 122.26 45.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.0 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.2 t -87.23 118.5 33.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 mm -100.56 102.81 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -110.99 99.43 8.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 33.3 m -79.99 58.42 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 174.43 -171.36 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -123.16 -43.69 2.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.5 -43.79 1.32 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.28 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.4 p -89.07 51.96 2.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.393 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -85.96 -56.58 3.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.433 1.083 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.99 -46.64 86.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -57.55 -60.97 2.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 111.053 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.65 -38.62 60.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.526 ' CG ' ' CD2' ' A' ' 40' ' ' LEU . 3.3 mt-10 -63.79 -10.78 21.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.147 . . . . 0.0 110.333 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.488 ' HA ' ' CZ ' ' A' ' 29' ' ' ARG . 7.2 t -89.27 -70.87 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.994 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.457 HG22 ' CG ' ' A' ' 94' ' ' GLN . 0.3 OUTLIER -41.89 -30.52 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 26' ' ' SER . . . -75.09 -45.69 19.1 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.531 1.144 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.488 ' CZ ' ' HA ' ' A' ' 26' ' ' SER . 0.3 OUTLIER -70.39 -29.17 65.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 0.776 . . . . 0.0 110.294 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -59.94 -39.01 84.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.452 ' HB ' ' CG2' ' A' ' 38' ' ' VAL . 97.1 t -70.27 -27.22 31.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -73.22 -33.01 65.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 110.254 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -60.04 -17.74 41.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.48 -11.92 36.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.96 31.49 6.94 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.455 1.097 . . . . 0.0 111.034 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 91.2 mtp -115.64 134.32 55.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 0.801 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.6 t -66.41 119.21 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.452 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 48.5 t -129.96 151.06 35.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.401 ' CG ' ' N ' ' A' ' 40' ' ' LEU . 16.4 t70 -144.03 168.42 20.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.526 ' CD2' ' CG ' ' A' ' 25' ' ' GLU . 1.5 mp -116.41 132.31 56.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 24.4 mt -114.75 106.31 20.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -93.02 120.56 33.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 45' ' ' THR . 39.2 mt -103.68 75.87 1.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -69.17 68.78 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.474 ' CG2' ' O ' ' A' ' 45' ' ' THR . 4.9 m 51.26 39.73 24.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.41 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.74 -62.52 1.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.8 t -141.85 -143.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.9 m -110.23 154.56 23.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.002 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.497 ' CD2' ' C ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -46.49 -55.13 7.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.6 p -44.43 -47.76 9.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.001 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -47.62 -31.45 4.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.335 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . -83.11 -38.64 22.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 23.6 mt -56.75 -44.15 81.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -57.67 -37.75 73.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.436 ' HA ' ' CG ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER -68.82 -33.38 73.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.429 ' CG1' ' HB3' ' A' ' 64' ' ' ALA . 69.2 t -64.75 -40.24 88.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.11 -51.16 7.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 110.037 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.445 ' HG3' ' N ' ' A' ' 59' ' ' GLY . 0.1 OUTLIER -63.88 -22.52 66.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.324 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.445 ' N ' ' HG3' ' A' ' 58' ' ' ARG . . . -85.65 -32.42 18.81 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 61' ' ' SER . . . 124.82 -29.57 4.88 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.427 ' HB3' ' CG1' ' A' ' 56' ' ' VAL . 1.0 OUTLIER -38.1 117.09 0.9 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 110.002 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.415 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.4 Cg_endo -75.0 -45.14 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.526 1.803 . . . . 0.0 111.017 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.563 ' CD1' HG12 ' A' ' 81' ' ' ILE . 9.9 m-30 -112.74 153.0 28.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.429 ' HB3' ' CG1' ' A' ' 56' ' ' VAL . . . -144.3 125.37 14.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.471 ' CG2' HD13 ' A' ' 67' ' ' ILE . 8.8 mt -95.23 141.43 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.65 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 0.4 OUTLIER -107.88 131.94 56.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.471 HD13 ' CG2' ' A' ' 65' ' ' ILE . 4.7 mm -125.79 150.87 31.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.432 HG21 ' CG ' ' A' ' 71' ' ' HIS . 2.5 t -174.62 161.48 3.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.441 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 68' ' ' THR . 8.7 mt-30 -38.38 -64.99 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.34 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 73' ' ' ILE . 0.0 OUTLIER -50.9 -62.27 1.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.327 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.65 ' CE1' ' CG1' ' A' ' 66' ' ' VAL . 21.1 m170 -39.78 -37.16 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.627 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -62.24 -50.6 71.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 70' ' ' GLN . 12.7 mt -56.25 -65.41 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -61.65 -17.64 56.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 109.617 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 71' ' ' HIS . 6.4 mtp180 61.93 33.99 17.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.269 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.4 p -123.54 143.14 50.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.978 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.7 p -121.19 175.5 6.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 108.327 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 52.3 m -116.56 114.45 24.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.372 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.431 HG11 ' CD2' ' A' ' 100' ' ' LEU . 57.7 t -90.91 113.63 26.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -112.59 118.33 34.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.563 HG12 ' CD1' ' A' ' 63' ' ' PHE . 29.6 mt -84.82 144.28 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 62' ' ' PRO . 9.9 mmt -107.86 -28.02 9.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 111.045 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.609 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.3 OUTLIER -100.61 149.26 23.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 111.003 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.0 -165.59 54.77 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.472 1.108 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.474 ' CG2' ' HD2' ' A' ' 86' ' ' PRO . 2.6 m -51.16 146.46 11.18 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.528 0.781 . . . . 0.0 110.386 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 85' ' ' THR . 18.3 Cg_endo -75.0 101.2 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.529 1.805 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -116.15 110.45 18.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -104.29 103.31 13.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.566 ' CD2' HD11 ' A' ' 100' ' ' LEU . 75.3 m-70 -88.05 110.96 21.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.61 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.9 mtp85 -103.2 128.91 50.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 60.08 94.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.464 ' CE ' ' HB3' ' A' ' 96' ' ' ASP . 9.6 mmm -138.95 136.99 18.81 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 139.02 23.83 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.547 1.814 . . . . 0.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.457 ' CG ' HG22 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -39.13 -64.4 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.303 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -39.65 -49.58 2.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.464 ' HB3' ' CE ' ' A' ' 92' ' ' MET . 0.5 OUTLIER -62.89 -58.36 7.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -46.65 -43.34 17.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 32.2 mmt -62.83 -29.22 70.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 111.039 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 96' ' ' ASP . 0.4 OUTLIER -83.41 -42.31 17.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.566 HD11 ' CD2' ' A' ' 89' ' ' HIS . 0.1 OUTLIER -63.85 -28.57 69.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.1 . . . . 0.0 109.267 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.498 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.5 OUTLIER -87.26 -49.66 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.349 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.498 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -60.73 -34.1 73.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.353 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.42 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 5.5 mmm180 -72.48 -66.8 0.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 110.259 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -49.01 -56.5 8.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.494 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 17.3 t80 -38.35 -57.71 1.09 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 111.046 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -41.01 -56.77 2.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.469 ' O ' ' ND2' ' A' ' 110' ' ' ASN . 12.1 ttt180 -67.77 -58.18 5.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.346 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -36.96 -40.86 0.31 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 111.032 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 112' ' ' CYS . 1.8 mtmt -62.91 -51.73 65.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.345 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 107' ' ' ARG . 0.2 OUTLIER -45.51 -36.26 4.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -83.04 -30.5 28.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.307 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . 0.455 ' N ' ' O ' ' A' ' 109' ' ' LYS . 0.5 OUTLIER -63.94 -54.68 30.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 108.281 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.3 -58.46 2.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -39.54 107.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.325 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.75 126.04 2.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 109.33 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 117' ' ' ARG . 0.9 OUTLIER -172.85 -49.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 116' ' ' GLU . 49.0 mtm180 -35.56 137.93 0.17 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.115 . . . . 0.0 110.285 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -44.87 169.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.332 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -113.68 32.13 6.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 83.9 mt -79.08 109.28 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 55.87 88.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.21 145.74 4.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -136.79 89.02 2.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -48.03 135.39 12.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 6.9 p -174.1 138.0 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.031 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -141.25 96.53 0.2 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.572 1.17 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 175.0 11.82 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.443 1.76 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 77.4 p -158.67 105.08 1.81 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.008 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 36.4 m -166.14 164.18 17.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.984 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.539 1.149 . . . . 0.0 110.977 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.43 135.29 45.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 0.74 . . . . 0.0 110.007 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -94.45 90.74 6.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 109.988 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.65 151.23 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.536 1.147 . . . . 0.0 110.993 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.7 p -120.02 -65.99 1.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 0.733 . . . . 0.0 110.01 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -170.44 163.62 8.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.992 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.93 177.77 54.26 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 131.8 14.72 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.474 1.776 . . . . 0.0 110.956 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 t -132.25 115.93 27.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.81 -42.82 3.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.1 t -149.38 106.05 3.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 108.312 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.62 135.39 33.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.029 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.449 ' CG1' HG13 ' A' ' 67' ' ' ILE . 57.5 t -90.47 133.27 32.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.451 ' CG2' HD23 ' A' ' 49' ' ' LEU . 3.0 mm -110.1 110.84 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' A' ' 17' ' ' ASN . 0.3 OUTLIER -125.85 97.17 4.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 109.349 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.8 m -68.96 -39.15 79.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.426 ' O ' ' CG2' ' A' ' 15' ' ' VAL . 4.7 m120 -79.93 173.08 12.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -111.22 -32.15 6.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -50.94 -38.9 53.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.6 p -86.45 50.19 1.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.371 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.463 ' HE3' ' CZ ' ' A' ' 42' ' ' PHE . 1.6 tttt -87.49 -40.99 13.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.32 -32.94 29.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -72.69 -54.57 8.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.962 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.02 -38.98 77.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.525 ' CG ' ' CD2' ' A' ' 40' ' ' LEU . 6.0 mt-10 -62.8 -12.16 22.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 29' ' ' ARG . 5.1 t -87.45 -67.67 0.81 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.108 . . . . 0.0 109.958 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.464 HG23 ' CG ' ' A' ' 94' ' ' GLN . 0.3 OUTLIER -50.35 -29.16 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.513 ' O ' ' CG1' ' A' ' 38' ' ' VAL . . . -71.39 -23.52 77.96 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 0.0 110.941 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 26' ' ' SER . 3.5 ptm180 -93.02 -33.55 14.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 110.272 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.07 -33.55 26.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.446 ' HB ' ' CG2' ' A' ' 38' ' ' VAL . 19.1 t -77.8 -28.88 15.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 29' ' ' ARG . 27.9 mtm180 -73.43 -31.74 63.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -59.81 -18.01 40.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.86 -11.68 38.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.97 25.67 11.15 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.499 1.124 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 89.3 mtp -108.25 135.33 49.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 0.784 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.4 t -65.91 123.56 19.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.513 ' CG1' ' O ' ' A' ' 28' ' ' GLY . 86.0 t -136.46 150.98 27.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 0.0 109.278 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -142.87 168.2 20.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.525 ' CD2' ' CG ' ' A' ' 25' ' ' GLU . 0.8 OUTLIER -115.43 128.58 56.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 18.5 mt -111.02 110.09 30.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.261 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.463 ' CZ ' ' HE3' ' A' ' 21' ' ' LYS . 41.5 m-85 -97.66 125.77 42.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.12 71.24 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -86.94 83.7 7.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.351 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 95.9 m 60.47 56.14 3.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.385 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -130.38 -67.11 0.74 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 110.266 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 33.2 m -138.0 179.02 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.2 t -94.25 174.0 7.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.014 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.451 HD23 ' CG2' ' A' ' 14' ' ' ILE . 0.4 OUTLIER -58.23 -62.22 1.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.26 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 85.8 p -44.98 -48.23 11.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.986 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -45.51 -32.53 2.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.494 ' O ' ' CG2' ' A' ' 56' ' ' VAL . . . -87.1 -40.82 14.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 54.4 mt -58.86 -44.59 91.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -61.43 -34.49 75.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -80.89 -31.28 35.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 52' ' ' ALA . 69.8 t -60.1 -47.47 91.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -63.83 0.99 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 110.011 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.449 ' CG ' ' N ' ' A' ' 59' ' ' GLY . 0.3 OUTLIER -51.83 -39.32 58.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.274 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.449 ' N ' ' CG ' ' A' ' 58' ' ' ARG . . . -61.71 -32.16 80.62 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 127.08 -35.08 2.94 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.433 ' HB3' ' CG1' ' A' ' 56' ' ' VAL . 1.2 m -39.12 112.23 0.71 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.513 0.772 . . . . 0.0 110.046 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.1 Cg_endo -75.07 -41.59 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 110.967 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.572 ' CE1' HG12 ' A' ' 81' ' ' ILE . 14.3 m-30 -113.75 146.79 39.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 111.02 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -138.14 126.51 23.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.47 ' CG2' HD13 ' A' ' 67' ' ' ILE . 6.1 mt -97.52 130.53 46.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.479 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 0.5 OUTLIER -94.67 121.57 45.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.584 1.177 . . . . 0.0 109.331 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.47 HD13 ' CG2' ' A' ' 65' ' ' ILE . 4.4 mm -125.91 131.39 71.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 38.3 p -146.63 -165.73 2.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.391 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.24 -64.74 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.422 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 1.1 tt0 -46.67 -56.27 6.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.338 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.479 ' CE1' ' CG1' ' A' ' 66' ' ' VAL . 11.3 m80 -40.25 -55.43 2.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.619 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -39.12 -41.84 0.87 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.422 ' CD1' ' HA ' ' A' ' 70' ' ' GLN . 8.3 mt -64.03 -50.61 76.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.427 ' N ' ' O ' ' A' ' 71' ' ' HIS . 31.6 m-70 -76.12 -1.75 27.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.586 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 71' ' ' HIS . 0.1 OUTLIER 46.44 26.17 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.265 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -123.8 155.66 37.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.6 p -127.98 172.88 10.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 108.307 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.433 ' HB ' ' CG1' ' A' ' 66' ' ' VAL . 23.0 m -112.02 117.49 32.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.365 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 86.3 t -89.8 126.68 42.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -127.53 117.17 21.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.572 HG12 ' CE1' ' A' ' 63' ' ' PHE . 33.6 mt -83.77 145.11 8.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 62' ' ' PRO . 4.9 mmt -111.52 -23.8 10.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.473 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.3 OUTLIER -104.27 157.67 16.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 62.13 -171.21 10.3 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.462 ' CG2' ' HD2' ' A' ' 86' ' ' PRO . 2.5 m -41.06 146.55 0.48 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 0.773 . . . . 0.0 110.41 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.462 ' HD2' ' CG2' ' A' ' 85' ' ' THR . 18.1 Cg_endo -75.07 89.9 1.13 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.463 1.77 . . . . 0.0 110.933 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -109.63 113.99 27.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -112.92 109.31 18.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.421 ' CE1' ' CD1' ' A' ' 100' ' ' LEU . 40.8 m-70 -95.67 112.25 24.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.605 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -102.09 140.99 35.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.8 t30 54.54 92.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 13.1 mmm -139.58 137.22 18.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 144.75 30.54 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.546 1.814 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.464 ' CG ' HG23 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -39.0 -71.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.322 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -37.46 -62.14 0.54 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.44 -59.52 2.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -48.31 -48.5 35.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.407 ' SD ' ' O ' ' A' ' 94' ' ' GLN . 0.0 OUTLIER -58.42 -27.02 63.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.957 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.432 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.5 OUTLIER -85.55 -46.12 17.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.421 ' CD1' ' CE1' ' A' ' 89' ' ' HIS . 0.0 OUTLIER -62.98 -28.58 70.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.478 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.8 OUTLIER -84.03 -48.13 17.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.478 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -63.48 -31.03 72.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.432 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 1.6 mmm180 -74.82 -58.69 3.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -56.69 -52.66 64.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.516 ' CZ ' ' HD3' ' A' ' 109' ' ' LYS . 26.3 t80 -41.93 -53.49 3.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.58 1.175 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -44.25 -64.14 0.74 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 110' ' ' ASN . 0.0 OUTLIER -48.6 -60.95 2.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 110.338 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -45.28 -30.97 1.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 111.021 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.516 ' HD3' ' CZ ' ' A' ' 105' ' ' TYR . 0.2 OUTLIER -77.46 -40.67 42.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 107' ' ' ARG . 60.3 m-20 -47.13 -41.49 17.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -87.31 -24.46 24.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.337 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 115' ' ' LYS . 10.5 t -64.58 -54.84 25.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 108.305 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 3.6 tmm_? -47.08 -24.66 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.258 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.72 -40.12 56.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 112' ' ' CYS . 0.0 OUTLIER -98.25 59.59 1.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 117' ' ' ARG . 0.3 OUTLIER -178.24 156.67 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -35.5 120.37 0.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.334 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -44.49 157.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.293 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -108.81 40.13 1.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 8.7 mt -40.51 103.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -174.85 58.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.415 ' HB3' ' NH1' ' A' ' 122' ' ' ARG . 2.2 ptp180 -73.83 137.29 43.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.266 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -157.91 -59.02 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -174.22 176.17 2.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 73.8 p -159.33 166.23 31.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.979 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -154.94 133.66 3.91 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 178.98 6.52 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.46 1.768 . . . . 0.0 111.027 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 5.5 t -138.94 -58.58 0.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.986 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.33 155.85 19.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.024 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.475 1.11 . . . . 0.0 110.958 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 m 61.14 144.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 0.796 . . . . 0.0 110.027 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.0 p -91.12 145.96 24.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.013 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.55 -164.01 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.556 1.16 . . . . 0.0 111.041 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.5 t -66.23 98.97 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 0.767 . . . . 0.0 110.025 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.74 75.76 1.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.997 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.02 155.14 10.26 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.462 1.102 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.467 ' CG ' ' HA3' ' A' ' 60' ' ' GLY . 18.4 Cg_endo -74.95 50.56 2.54 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.521 1.8 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 8' ' ' PRO . 34.5 t 58.8 151.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.419 ' HB2' ' N ' ' A' ' 37' ' ' VAL . 0.6 OUTLIER -103.35 -32.3 9.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.0 97.16 2.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 108.344 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.2 p -81.76 121.77 26.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.469 ' CG1' HG13 ' A' ' 67' ' ' ILE . 62.4 t -87.86 116.65 30.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 mm -100.16 105.78 18.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -111.15 95.99 4.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.464 ' CG1' ' HG ' ' A' ' 49' ' ' LEU . 11.1 m -80.66 66.16 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 167.93 127.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -51.85 -24.93 6.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.437 ' C ' ' N ' ' A' ' 21' ' ' LYS . 2.1 mm-40 -74.07 -165.03 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.348 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 p 39.94 29.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.355 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.437 ' N ' ' C ' ' A' ' 19' ' ' GLN . 4.8 tttt -63.75 -59.29 4.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -60.08 -52.61 64.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.252 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -49.74 -57.12 7.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.31 -38.06 76.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.491 ' CG ' ' CD2' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -66.18 -9.72 34.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 29' ' ' ARG . 4.2 t -91.39 -70.25 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.957 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -43.2 -29.11 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.429 ' CA ' HG11 ' A' ' 38' ' ' VAL . . . -72.71 -43.35 43.44 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.457 1.098 . . . . 0.0 110.951 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.477 ' CG ' ' N ' ' A' ' 30' ' ' LYS . 4.5 ptm180 -69.85 -40.99 75.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.754 . . . . 0.0 110.341 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.477 ' N ' ' CG ' ' A' ' 29' ' ' ARG . 8.6 mptt -46.01 -42.19 12.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.467 ' HB ' ' CG2' ' A' ' 38' ' ' VAL . 48.7 t -67.05 -35.53 74.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 29' ' ' ARG . 15.0 mtp180 -64.37 -31.32 72.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -61.81 -21.07 64.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.04 -10.7 46.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.26 35.6 5.69 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.457 ' HG2' ' CE1' ' A' ' 105' ' ' TYR . 80.8 mtp -119.8 135.25 54.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.763 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.419 ' N ' ' HB2' ' A' ' 10' ' ' ASP . 22.3 t -65.49 123.17 17.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.467 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 30.7 t -128.84 148.96 33.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -143.96 167.16 23.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.491 ' CD2' ' CG ' ' A' ' 25' ' ' GLU . 1.5 mp -119.87 129.09 54.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 31.2 mt -118.94 107.92 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.414 ' CZ ' ' HE3' ' A' ' 21' ' ' LYS . 63.8 m-85 -90.41 124.71 35.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 45' ' ' THR . 4.6 mt -115.13 -65.96 1.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.091 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 60.7 -83.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 43' ' ' LEU . 8.1 m -119.02 35.44 4.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.411 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -116.08 111.43 20.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 41.92 -145.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.9 t -114.94 165.71 12.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.001 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.464 ' HG ' ' CG1' ' A' ' 16' ' ' VAL . 1.0 OUTLIER -60.02 -50.74 72.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 84.1 p -45.28 -47.75 12.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -43.52 -31.41 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.302 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.13 -44.44 15.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.408 ' HG ' ' CD2' ' A' ' 49' ' ' LEU . 93.1 mt -59.94 -39.55 85.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -65.03 -24.47 67.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.266 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 59' ' ' GLY . 12.4 t0 -89.19 -26.02 21.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.7 t -64.72 -60.8 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.31 -57.89 10.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.006 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.35 -36.51 73.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 55' ' ' ASP . . . -67.27 -32.62 80.26 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.467 ' HA3' ' CG ' ' A' ' 8' ' ' PRO . . . 131.46 -45.56 1.12 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 60' ' ' GLY . 1.6 m -35.65 114.14 0.54 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.757 . . . . 0.0 109.978 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.4 Cg_endo -74.97 -39.62 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.492 1.785 . . . . 0.0 111.018 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.572 ' CE1' HG12 ' A' ' 81' ' ' ILE . 14.4 m-30 -112.44 152.7 28.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.1 132.32 20.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.453 ' CG2' HD11 ' A' ' 67' ' ' ILE . 6.7 mt -99.27 141.63 16.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.494 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 0.5 OUTLIER -107.13 127.67 62.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.355 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.469 HG13 ' CG1' ' A' ' 13' ' ' VAL . 4.6 mm -126.13 136.47 60.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 67.4 p -147.71 -148.79 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.424 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -89.55 -62.83 1.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -54.23 -42.9 70.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.246 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.494 ' CE1' ' CG1' ' A' ' 66' ' ' VAL . 6.2 m170 -50.87 -30.58 14.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.586 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -68.31 -47.59 67.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 110.27 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.7 mt -60.43 -49.63 83.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.142 . . . . 0.0 109.256 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 54.9 m-70 -79.98 -4.88 54.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.664 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 71' ' ' HIS . 0.0 OUTLIER 48.7 28.5 1.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.318 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.476 ' O ' ' CD2' ' A' ' 71' ' ' HIS . 1.1 p -115.3 155.72 26.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.025 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.6 p -132.81 175.42 9.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 108.281 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.43 ' HB ' ' CG1' ' A' ' 66' ' ' VAL . 24.0 m -114.98 113.97 24.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.372 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.463 HG13 ' CD2' ' A' ' 100' ' ' LEU . 77.0 t -90.01 110.17 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -108.63 129.49 55.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.572 HG12 ' CE1' ' A' ' 63' ' ' PHE . 41.3 mt -95.57 144.39 10.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 62' ' ' PRO . 12.1 mmt -106.85 -27.24 10.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.95 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.493 ' O ' ' CG2' ' A' ' 81' ' ' ILE . 0.4 OUTLIER -104.92 146.34 29.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.0 -170.12 54.52 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.479 ' CG2' ' HD2' ' A' ' 86' ' ' PRO . 2.7 m -46.67 146.48 2.53 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 0.0 110.373 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.479 ' HD2' ' CG2' ' A' ' 85' ' ' THR . 18.2 Cg_endo -75.03 95.94 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.526 1.803 . . . . 0.0 110.988 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -111.04 133.86 53.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.34 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -128.91 99.9 5.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.56 ' CD2' HD13 ' A' ' 100' ' ' LEU . 68.6 m-70 -86.45 110.51 19.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.629 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -101.18 132.46 46.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.308 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.4 m120 60.88 93.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.453 ' CE ' ' HB3' ' A' ' 96' ' ' ASP . 12.7 mmm -141.35 134.88 14.6 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 139.53 24.32 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.466 1.771 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -38.11 -62.87 0.53 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 110.344 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -38.95 -58.78 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.453 ' HB3' ' CE ' ' A' ' 92' ' ' MET . 0.6 OUTLIER -56.2 -56.55 19.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -46.2 -45.34 16.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.459 ' HE2' ' CG2' ' A' ' 31' ' ' VAL . 32.5 mmt -61.86 -29.43 70.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.952 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.486 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.4 OUTLIER -82.73 -44.32 19.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.56 HD13 ' CD2' ' A' ' 89' ' ' HIS . 0.1 OUTLIER -63.83 -28.5 69.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.503 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.7 OUTLIER -86.91 -49.76 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.503 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -60.42 -30.29 69.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.486 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 2.2 mmm180 -78.86 -57.8 3.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -57.74 -51.94 67.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.51 ' CZ ' ' HD3' ' A' ' 109' ' ' LYS . 18.5 t80 -41.95 -48.29 4.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -48.37 -63.37 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.411 ' HA ' ' ND2' ' A' ' 110' ' ' ASN . 0.0 OUTLIER -47.3 -58.05 4.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.289 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -46.66 -31.54 2.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.51 ' HD3' ' CZ ' ' A' ' 105' ' ' TYR . 0.7 OUTLIER -80.22 -36.92 34.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.411 ' ND2' ' HA ' ' A' ' 107' ' ' ARG . 29.5 m-20 -49.69 -24.12 2.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -63.68 -27.04 68.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 67.1 m -88.58 -55.73 3.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 108.319 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.62 -47.99 3.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -103.38 -161.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 29.8 mttt 60.39 -170.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 117' ' ' ARG . 0.8 OUTLIER -43.91 108.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 116' ' ' GLU . 2.7 mtm180 -35.5 129.41 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.279 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -44.41 168.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -112.57 33.67 4.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.305 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 15.7 mt -62.35 -113.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.249 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 69.64 161.69 0.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 31.6 mtt180 58.04 85.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.08 137.83 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.92 145.21 38.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.9 163.46 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.977 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 163.09 102.88 0.17 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 150.97 38.91 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.53 1.805 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 39.0 t -83.76 85.57 7.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.976 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 11.7 p -60.33 126.96 29.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.994 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.1 108.11 6.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 109.959 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.9 t 59.85 156.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.01 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.03 -68.72 0.54 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.523 1.139 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m 53.79 85.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.776 . . . . 0.0 109.991 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.93 89.94 1.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.037 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.52 177.25 1.92 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.541 1.151 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 137.89 22.34 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.497 1.788 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 70.5 t -127.44 113.8 33.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -42.16 -42.05 2.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.488 ' SG ' ' CD1' ' A' ' 65' ' ' ILE . 49.4 t -148.69 110.73 4.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 108.3 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.5 m -96.82 133.29 41.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.042 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.466 HG22 ' CA ' ' A' ' 28' ' ' GLY . 61.6 t -88.47 127.35 41.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.2 mm -107.83 107.82 23.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -118.08 96.9 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.424 ' CG1' HD11 ' A' ' 43' ' ' LEU . 12.2 m -78.74 55.76 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -178.94 -171.12 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -122.35 -43.18 2.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.69 -43.1 1.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.2 p -89.42 52.68 2.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.39 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.452 ' HE3' ' CZ ' ' A' ' 42' ' ' PHE . 7.0 tttt -89.08 -47.9 7.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.77 -46.12 59.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -58.89 -56.88 16.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.08 -42.86 73.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.253 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.516 ' CG ' ' CD2' ' A' ' 40' ' ' LEU . 3.7 mt-10 -59.82 -14.27 14.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.281 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' ARG . 4.6 t -86.67 -67.38 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.468 HG21 ' CG ' ' A' ' 94' ' ' GLN . 0.3 OUTLIER -49.47 -28.67 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.509 ' O ' ' CG1' ' A' ' 38' ' ' VAL . . . -71.45 -27.44 71.38 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.0 OUTLIER -91.61 -31.26 15.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 110.291 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.85 -40.81 61.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.456 ' HB ' ' CG2' ' A' ' 38' ' ' VAL . 52.2 t -70.4 -31.47 46.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.427 ' CZ ' ' HA ' ' A' ' 29' ' ' ARG . 87.9 mtm-85 -69.23 -32.57 71.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.297 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -60.05 -17.39 38.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.38 -12.68 31.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.86 28.56 8.21 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.482 ' HG2' ' CE2' ' A' ' 105' ' ' TYR . 90.8 mtp -112.01 135.06 53.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.769 . . . . 0.0 111.018 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.8 t -66.02 123.66 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.509 ' CG1' ' O ' ' A' ' 28' ' ' GLY . 96.4 t -135.82 152.39 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -143.98 168.38 20.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.516 ' CD2' ' CG ' ' A' ' 25' ' ' GLU . 0.9 OUTLIER -114.69 128.46 56.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.0 mt -112.72 110.93 34.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.452 ' CZ ' ' HE3' ' A' ' 21' ' ' LYS . 40.2 m-85 -97.16 135.54 38.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 111.03 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.424 HD11 ' CG1' ' A' ' 16' ' ' VAL . 1.0 OUTLIER -133.69 135.03 43.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -174.58 120.95 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.7 p 44.2 39.85 3.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.4 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -138.7 -69.32 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 110.265 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 30.6 m -136.28 179.75 3.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.3 t -103.07 167.54 9.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.014 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.485 ' CD2' ' C ' ' A' ' 49' ' ' LEU . 0.5 OUTLIER -53.56 -54.79 32.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.405 1.065 . . . . 0.0 109.271 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 96.3 p -48.34 -44.29 34.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.995 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -48.5 -35.05 12.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.306 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.35 -38.17 35.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.434 ' HG ' ' CD2' ' A' ' 49' ' ' LEU . 47.9 mt -63.01 -42.99 99.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.592 1.182 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -60.2 -31.71 70.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.148 . . . . 0.0 110.345 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.45 ' OD1' ' NE ' ' A' ' 58' ' ' ARG . 8.9 t0 -83.61 -22.68 32.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.461 HG11 ' CE ' ' A' ' 82' ' ' MET . 12.2 t -69.21 -41.27 81.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.43 -55.97 5.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.036 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.45 ' NE ' ' OD1' ' A' ' 55' ' ' ASP . 16.1 ptt85 -60.45 -36.69 78.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.407 ' N ' ' CG ' ' A' ' 58' ' ' ARG . . . -65.32 -31.96 82.16 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.125 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 121.62 -28.24 6.02 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.437 ' CB ' HG12 ' A' ' 56' ' ' VAL . 1.0 OUTLIER -39.85 113.39 0.89 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.561 0.801 . . . . 0.0 110.018 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.414 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.4 Cg_endo -75.01 -38.26 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.49 1.784 . . . . 0.0 111.048 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.557 ' CD1' HG12 ' A' ' 81' ' ' ILE . 13.8 m-30 -114.99 152.32 32.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 111.064 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.33 123.05 14.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.488 ' CD1' ' SG ' ' A' ' 11' ' ' CYS . 7.1 mt -95.34 133.33 36.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.243 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.683 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 0.8 OUTLIER -101.32 125.62 55.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.462 HG13 ' CG1' ' A' ' 13' ' ' VAL . 4.3 mm -125.35 155.38 34.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.506 ' CG2' ' N ' ' A' ' 69' ' ' GLN . 0.6 OUTLIER -178.9 -170.21 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.391 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.506 ' N ' ' CG2' ' A' ' 68' ' ' THR . 80.4 mt-30 -57.05 -65.17 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.26 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 71' ' ' HIS . 0.2 OUTLIER -51.49 -62.23 1.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.287 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.683 ' CE1' ' CG1' ' A' ' 66' ' ' VAL . 38.7 m80 -39.11 -39.03 0.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.612 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -60.15 -58.14 9.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 11.0 mt -51.03 -69.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -56.08 -19.9 14.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.618 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 71' ' ' HIS . 0.0 OUTLIER 65.12 25.83 12.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 32.5 m -122.69 146.95 47.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.012 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 1.8 p -125.56 175.08 7.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 108.301 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.494 ' CG2' ' HB3' ' A' ' 90' ' ' ARG . 20.3 m -109.89 118.86 37.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.382 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.426 ' N ' ' O ' ' A' ' 89' ' ' HIS . 72.6 t -90.22 113.11 25.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -112.42 128.17 56.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.557 HG12 ' CD1' ' A' ' 63' ' ' PHE . 43.0 mt -94.21 144.35 9.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.461 ' CE ' HG11 ' A' ' 56' ' ' VAL . 13.4 mmt -107.22 -26.83 10.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.983 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.589 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -89.48 149.67 22.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.978 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 58.28 -165.19 7.63 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.468 ' CG2' ' HD2' ' A' ' 86' ' ' PRO . 2.5 m -44.03 146.49 1.08 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.542 0.789 . . . . 0.0 110.411 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.468 ' HD2' ' CG2' ' A' ' 85' ' ' THR . 18.1 Cg_endo -75.04 101.87 1.52 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.533 1.807 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -111.32 120.18 41.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -115.56 116.11 27.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.318 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.426 ' O ' ' N ' ' A' ' 79' ' ' VAL . 60.2 m-70 -116.63 109.39 17.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.6 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.494 ' HB3' ' CG2' ' A' ' 78' ' ' THR . 0.0 OUTLIER -117.94 166.59 12.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.338 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 63.96 16.61 10.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 18.3 mmm -82.77 133.66 48.61 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 111.034 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 94' ' ' GLN . 18.1 Cg_endo -75.03 145.73 31.7 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.45 1.763 . . . . 0.0 110.973 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.468 ' CG ' HG21 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -37.29 -71.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 98' ' ' MET . . . -37.68 -71.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -40.8 -48.79 3.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.63 -46.25 81.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -62.06 -23.44 66.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.416 ' CG1' ' N ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -86.24 -48.37 15.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.416 ' N ' ' CG1' ' A' ' 99' ' ' VAL . 0.0 OUTLIER -59.97 -28.03 67.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.494 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.8 OUTLIER -85.37 -49.63 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.494 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -56.29 -27.91 56.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 104' ' ' ASN . 9.6 mmm-85 -85.28 -72.48 0.48 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 110.301 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 103' ' ' ARG . 7.7 m-80 -39.11 -46.97 1.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.482 ' CE2' ' HG2' ' A' ' 36' ' ' MET . 2.8 t80 -46.81 -60.25 2.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.974 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -56.23 -39.52 72.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 110' ' ' ASN . 1.1 mtt180 -64.95 -58.57 5.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -41.42 -29.96 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 112' ' ' CYS . 1.0 OUTLIER -79.75 -45.99 17.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 107' ' ' ARG . 99.8 m-20 -44.65 -33.89 1.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.352 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -93.48 -26.42 17.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 109' ' ' LYS . 19.5 t -62.79 -70.3 0.21 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 108.337 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -39.4 -50.86 2.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.27 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -63.39 89.12 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.333 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.8 tptt -82.0 99.92 9.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 68.73 142.3 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.19 113.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -44.09 167.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.265 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -116.88 38.1 3.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 4.6 mt -41.72 118.37 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -168.13 83.65 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.64 142.76 14.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.315 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -116.19 148.06 40.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -88.84 132.32 34.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 13.4 m -153.59 119.43 5.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.01 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 162.41 139.26 2.6 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 147.78 34.4 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.466 1.772 . . . . 0.0 111.01 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 38.0 m -129.5 142.13 50.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.001 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.4 t -129.23 82.45 2.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.983 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.577 1.173 . . . . 0.0 110.975 179.959 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 t -116.73 98.85 6.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 0.747 . . . . 0.0 109.998 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 m -90.99 75.69 6.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.005 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.74 -122.82 7.26 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.491 1.12 . . . . 0.0 111.044 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 t 71.44 117.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 0.735 . . . . 0.0 109.958 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.39 79.07 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.011 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.35 160.94 33.66 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 170.62 20.02 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.482 1.78 . . . . 0.0 111.03 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.417 HG13 ' N ' ' A' ' 10' ' ' ASP . 73.4 t -150.64 140.57 15.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.417 ' N ' HG13 ' A' ' 9' ' ' VAL . 2.8 m-20 -72.0 -45.54 60.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.4 t -149.0 104.88 3.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 108.321 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.7 m -86.55 139.99 30.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.034 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.452 ' CG1' HG13 ' A' ' 67' ' ' ILE . 87.6 t -99.64 120.6 49.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.431 ' CG2' HD21 ' A' ' 49' ' ' LEU . 2.7 mm -99.18 117.37 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -123.59 103.25 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.237 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.459 ' CG1' HD13 ' A' ' 43' ' ' LEU . 28.6 m -86.69 60.56 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 16' ' ' VAL . 2.5 m-80 172.67 -178.75 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.53 -42.86 3.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -45.0 -45.11 10.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.282 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.469 ' CG2' ' HB2' ' A' ' 72' ' ' GLN . 1.3 p -86.16 49.46 1.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.16 . . . . 0.0 110.347 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -86.9 -54.98 4.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -64.84 -50.96 64.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -51.8 -57.27 9.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.72 -39.09 79.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.524 ' CG ' ' CD2' ' A' ' 40' ' ' LEU . 2.5 mt-10 -62.01 -13.12 22.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 29' ' ' ARG . 5.7 t -89.01 -66.51 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.99 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.406 HG21 ' NE2' ' A' ' 94' ' ' GLN . 0.3 OUTLIER -43.16 -30.76 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.158 . . . . 0.0 109.302 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.92 -43.24 83.48 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.138 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.505 ' CG ' ' N ' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -68.84 -42.35 77.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 0.0 110.354 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.505 ' N ' ' CG ' ' A' ' 29' ' ' ARG . 0.2 OUTLIER -46.48 -42.43 15.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.455 ' HB ' ' CG2' ' A' ' 38' ' ' VAL . 51.2 t -69.12 -34.53 63.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 29' ' ' ARG . 7.4 mtm180 -68.67 -31.82 71.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -60.67 -17.54 48.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.16 -11.46 35.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.81 28.72 8.61 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.464 1.102 . . . . 0.0 111.022 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.549 ' SD ' ' CD2' ' A' ' 105' ' ' TYR . 90.0 mtp -113.45 132.19 55.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.53 123.47 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.455 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 73.8 t -133.31 149.2 31.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.137 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -140.83 168.61 19.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.524 ' CD2' ' CG ' ' A' ' 25' ' ' GLU . 0.9 OUTLIER -116.73 127.91 54.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.472 ' CG2' HD23 ' A' ' 43' ' ' LEU . 19.8 mt -114.0 110.4 31.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -96.83 133.55 41.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.472 HD23 ' CG2' ' A' ' 41' ' ' ILE . 1.3 mt -120.63 -76.03 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.3 t30 68.87 -67.1 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.477 ' O ' ' C ' ' A' ' 46' ' ' GLU . 44.5 m -130.48 -41.21 1.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.459 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 45' ' ' THR . 1.4 mt-10 -33.1 -77.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.465 ' CG2' HD21 ' A' ' 43' ' ' LEU . 25.2 m -130.28 -172.3 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -108.19 -178.12 3.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.026 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.431 HD21 ' CG2' ' A' ' 14' ' ' ILE . 0.5 OUTLIER -58.8 -59.36 5.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 53' ' ' LEU . 83.1 p -44.96 -56.98 4.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.023 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -40.82 -32.15 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -88.35 -41.3 12.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 50' ' ' SER . 57.9 mt -58.18 -48.37 80.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -56.97 -30.08 63.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.272 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.401 ' HA ' ' CD ' ' A' ' 58' ' ' ARG . 54.9 t0 -82.51 -32.27 28.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.0 t -58.13 -59.13 3.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 60' ' ' GLY . 0.0 OUTLIER -59.0 -63.37 1.33 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.415 1.072 . . . . 0.0 109.99 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.409 ' CG ' ' N ' ' A' ' 59' ' ' GLY . 19.1 ptt180 -48.41 -36.0 13.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.409 ' N ' ' CG ' ' A' ' 58' ' ' ARG . . . -69.66 -25.94 74.99 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.133 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 57' ' ' SER . . . 113.59 -24.8 11.72 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.7 m -39.65 115.42 1.04 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.54 0.788 . . . . 0.0 110.007 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -44.68 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.779 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.454 ' CE1' HG12 ' A' ' 81' ' ' ILE . 11.7 m-30 -115.5 147.21 40.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -139.37 126.84 21.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.424 ' CG2' HD11 ' A' ' 67' ' ' ILE . 9.0 mt -94.75 137.22 23.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.475 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 0.5 OUTLIER -102.39 128.65 54.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.581 1.176 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.452 HG13 ' CG1' ' A' ' 13' ' ' VAL . 4.1 mm -126.66 146.04 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.6 t -172.29 154.94 3.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.414 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -41.02 -63.81 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.279 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -42.44 -49.11 5.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.32 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.475 ' CE1' ' CG1' ' A' ' 66' ' ' VAL . 6.9 m170 -57.17 -54.44 46.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.635 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.469 ' HB2' ' CG2' ' A' ' 20' ' ' THR . 0.8 OUTLIER -38.67 -40.74 0.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.266 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.6 mt -63.62 -52.21 60.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.43 ' N ' ' O ' ' A' ' 71' ' ' HIS . 64.6 m-70 -75.83 -2.15 28.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.611 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 71' ' ' HIS . 0.0 OUTLIER 48.05 26.98 1.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.2 p -124.32 156.08 37.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.7 p -128.08 175.54 8.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 108.294 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.467 ' HB ' ' CG1' ' A' ' 66' ' ' VAL . 93.5 m -116.92 120.23 37.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.414 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.435 HG11 ' CD2' ' A' ' 100' ' ' LEU . 61.6 t -90.71 116.27 31.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.2 116.23 29.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.454 HG12 ' CE1' ' A' ' 63' ' ' PHE . 27.2 mt -83.93 146.12 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 7.2 mmt -114.93 -27.68 7.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.593 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -91.16 150.09 21.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 53.66 -154.18 7.7 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.489 1.118 . . . . 0.0 110.963 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.404 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 3.1 m -49.93 129.27 21.74 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.515 0.774 . . . . 0.0 110.405 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 85' ' ' THR . 18.3 Cg_endo -75.03 97.85 1.11 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.503 1.791 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -109.45 115.05 29.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -108.05 97.63 7.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.438 1.086 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.469 ' CD2' HD13 ' A' ' 100' ' ' LEU . 21.8 m-70 -81.64 115.47 20.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.574 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.0 mtp85 -102.25 135.32 44.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.292 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 30.4 m-20 63.47 87.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 19.9 mmm -139.0 130.97 15.41 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 94' ' ' GLN . 18.2 Cg_endo -75.0 143.12 28.68 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.511 1.795 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -38.35 -64.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 110.285 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -38.24 -63.99 0.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -53.95 -49.78 67.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -50.49 -44.13 55.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.43 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 29.9 mmt -63.97 -27.67 69.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -83.05 -44.91 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.469 HD13 ' CD2' ' A' ' 89' ' ' HIS . 0.0 OUTLIER -63.27 -28.08 69.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.504 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.8 OUTLIER -87.65 -49.6 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.504 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -58.51 -37.09 74.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 9.9 mmm-85 -71.74 -69.17 0.4 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 110.251 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -44.51 -57.84 3.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.549 ' CD2' ' SD ' ' A' ' 36' ' ' MET . 2.9 t80 -40.54 -53.58 2.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 109' ' ' LYS . 3.5 mm-40 -49.6 -70.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.403 ' HA ' ' ND2' ' A' ' 110' ' ' ASN . 0.4 OUTLIER -42.7 -57.36 2.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.253 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -48.32 -28.88 3.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 106' ' ' GLU . 3.6 mtmt -81.35 -40.54 23.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.319 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.403 ' ND2' ' HA ' ' A' ' 107' ' ' ARG . 97.8 m-20 -51.46 -32.8 28.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -84.37 -26.05 28.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.344 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . 0.4 ' O ' ' N ' ' A' ' 115' ' ' LYS . 68.7 m -61.92 -49.88 74.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 108.342 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.63 -34.42 0.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.52 -50.91 72.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 112' ' ' CYS . 0.0 OUTLIER -79.29 69.09 5.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 117' ' ' ARG . 1.8 mm-40 175.37 175.81 0.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.304 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 116' ' ' GLU . 33.9 mtp180 -35.26 141.58 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -44.25 163.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 121' ' ' ALA . 0.5 OUTLIER -116.36 40.51 2.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.339 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 50.6 mt -68.11 69.94 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 119' ' ' GLU . . . -168.43 48.28 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.152 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -172.12 134.43 0.73 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.319 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -126.41 141.41 51.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -172.65 -177.9 1.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 6.3 m -104.81 172.28 6.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.012 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -106.31 108.17 2.87 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.529 1.143 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 178.67 6.95 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 55.8 p -112.18 171.07 7.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.967 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 93.9 p -128.26 173.93 9.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.132 . . . . 0.0 109.993 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.2 p -69.02 157.47 36.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 0.77 . . . . 0.0 109.995 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.6 p -141.61 109.49 5.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.955 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.18 -137.59 2.25 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.464 1.102 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.9 m -172.07 90.9 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 0.745 . . . . 0.0 109.996 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.6 p -172.44 130.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.949 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.45 179.56 22.13 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 145.79 31.98 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.538 1.809 . . . . 0.0 111.03 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 10' ' ' ASP . 51.5 t -140.33 117.76 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 9' ' ' VAL . 0.4 OUTLIER -40.7 -48.16 2.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.352 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.4 t -148.89 104.83 3.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 108.314 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.83 145.47 24.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.0 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.405 ' CG1' HG13 ' A' ' 67' ' ' ILE . 95.3 t -97.74 129.7 47.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.472 ' CG2' HD21 ' A' ' 49' ' ' LEU . 2.8 mm -109.21 103.62 15.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.437 ' CG2' ' OG1' ' A' ' 20' ' ' THR . 1.4 p -112.69 97.07 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.314 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.0 m -72.79 -44.05 59.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.449 ' ND2' ' NE2' ' A' ' 69' ' ' GLN . 8.5 m120 -65.83 130.09 42.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.409 ' HB2' ' ND2' ' A' ' 44' ' ' ASN . 2.1 tptt -86.42 49.35 1.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 21' ' ' LYS . 0.6 OUTLIER -138.85 -47.39 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.437 ' OG1' ' CG2' ' A' ' 15' ' ' VAL . 41.5 p -69.71 59.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.422 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.47 ' HE3' ' CZ ' ' A' ' 42' ' ' PHE . 3.3 tttt -88.76 -34.89 16.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -90.33 -24.83 20.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.574 ' CE2' ' HA ' ' A' ' 72' ' ' GLN . 11.2 t80 -79.88 -53.21 6.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 111.044 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.98 -38.99 87.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.493 ' CG ' HD22 ' A' ' 40' ' ' LEU . 4.1 mt-10 -60.36 -13.99 16.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 29' ' ' ARG . 3.7 t -87.1 -69.37 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.045 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -49.59 -28.52 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.494 ' O ' ' CG1' ' A' ' 38' ' ' VAL . . . -70.87 -28.48 70.59 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -91.42 -32.99 15.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 0.781 . . . . 0.0 110.287 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -49.49 -41.13 39.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.453 ' HB ' ' CG2' ' A' ' 38' ' ' VAL . 55.6 t -69.52 -35.08 64.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -65.44 -31.81 73.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -61.14 -18.81 60.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.451 ' CD1' ' HA ' ' A' ' 31' ' ' VAL . 0.5 OUTLIER -91.06 -11.65 38.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.74 28.84 8.56 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.451 1.095 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 95.4 mtp -112.65 134.21 54.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.784 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 45.2 t -65.66 123.1 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 28' ' ' GLY . 80.2 t -135.31 150.66 29.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -141.68 167.67 21.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.493 HD22 ' CG ' ' A' ' 25' ' ' GLU . 1.1 mp -113.43 128.55 56.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.8 mt -115.3 104.7 17.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.47 ' CZ ' ' HE3' ' A' ' 21' ' ' LYS . 49.9 m-85 -91.27 125.23 35.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 mt -115.1 173.81 6.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.417 ' O ' ' N ' ' A' ' 46' ' ' GLU . 1.7 t-20 179.89 -160.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.0 m -57.0 88.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 110.411 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -171.69 -63.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 5.8 m -131.06 -156.95 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.3 t -129.13 -173.81 3.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.538 1.149 . . . . 0.0 109.988 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.472 HD21 ' CG2' ' A' ' 14' ' ' ILE . 0.9 OUTLIER -63.64 -58.04 8.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 53' ' ' LEU . 66.4 p -41.5 -55.0 2.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.965 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 50' ' ' SER . 0.8 OUTLIER -38.57 -37.97 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 110.263 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.45 -44.6 17.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.137 . . . . 0.0 109.305 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 50' ' ' SER . 67.2 mt -57.27 -39.92 76.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.143 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -61.81 -32.44 72.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.287 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -84.6 -29.39 25.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.433 ' CG1' ' HB3' ' A' ' 61' ' ' SER . 79.5 t -60.39 -51.21 75.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 109.251 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 60' ' ' GLY . 0.3 OUTLIER -63.8 -64.07 0.99 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.155 . . . . 0.0 110.023 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.414 ' CG ' ' N ' ' A' ' 59' ' ' GLY . 2.5 ptm180 -48.17 -36.38 13.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.414 ' N ' ' CG ' ' A' ' 58' ' ' ARG . . . -67.1 -28.74 73.85 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 57' ' ' SER . . . 119.34 -28.29 6.61 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.433 ' HB3' ' CG1' ' A' ' 56' ' ' VAL . 0.4 OUTLIER -40.51 111.7 0.8 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 109.997 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.421 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.2 Cg_endo -75.01 -41.28 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.509 1.794 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.507 ' CD1' HG12 ' A' ' 81' ' ' ILE . 14.8 m-30 -112.9 147.25 37.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.55 124.75 16.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.417 ' CG2' HD12 ' A' ' 67' ' ' ILE . 30.1 mt -95.09 138.44 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.457 ' CG1' ' HB ' ' A' ' 78' ' ' THR . 0.5 OUTLIER -102.97 130.92 52.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.417 HD12 ' CG2' ' A' ' 65' ' ' ILE . 3.4 mm -129.52 141.27 46.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 44.8 p -149.62 -147.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.377 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.449 ' NE2' ' ND2' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -90.03 -56.83 3.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -59.5 -46.64 88.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.444 ' CE1' ' CG1' ' A' ' 66' ' ' VAL . 29.7 m170 -49.38 -32.09 10.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.569 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.574 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 4.5 tt0 -66.88 -46.15 75.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.278 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.4 mt -68.25 -50.49 57.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -70.97 -15.16 62.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.583 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 71' ' ' HIS . 2.4 mmm180 59.23 25.48 14.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.337 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.422 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 1.1 p -120.53 143.26 48.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.023 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.7 p -122.61 175.54 6.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 108.323 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.457 ' HB ' ' CG1' ' A' ' 66' ' ' VAL . 50.7 m -115.44 115.03 25.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 86.6 t -90.37 118.61 35.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -117.16 121.08 40.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.507 HG12 ' CD1' ' A' ' 63' ' ' PHE . 39.3 mt -86.45 144.47 9.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 62' ' ' PRO . 11.0 mmt -106.26 -27.14 11.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.549 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -102.02 151.14 22.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.953 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.62 -175.83 36.66 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 110.972 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.477 ' CG2' ' HD2' ' A' ' 86' ' ' PRO . 2.6 m -41.11 146.44 0.5 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.542 0.79 . . . . 0.0 110.45 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 85' ' ' THR . 18.4 Cg_endo -74.99 101.14 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.513 1.796 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -115.46 120.65 40.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -114.02 109.0 17.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.562 ' CD2' HD12 ' A' ' 100' ' ' LEU . 82.8 m-70 -95.64 111.81 23.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.591 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -100.65 139.18 36.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.282 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 51.34 96.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.465 ' CE ' ' HB3' ' A' ' 96' ' ' ASP . 14.3 mmm -140.92 133.34 14.24 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 94' ' ' GLN . 18.4 Cg_endo -74.98 140.6 25.69 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.472 1.775 . . . . 0.0 111.025 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.3 OUTLIER -37.08 -66.37 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -37.29 -57.08 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.465 ' HB3' ' CE ' ' A' ' 92' ' ' MET . 0.4 OUTLIER -54.22 -60.65 3.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -44.87 -47.5 11.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.451 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 31.3 mmt -58.57 -32.59 69.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 111.038 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 96' ' ' ASP . 0.4 OUTLIER -81.5 -43.36 20.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.562 HD12 ' CD2' ' A' ' 89' ' ' HIS . 0.1 OUTLIER -65.18 -29.49 70.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.493 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.7 OUTLIER -85.97 -49.06 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.493 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -60.74 -35.85 77.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 103' ' ' ARG . 1.4 mmm180 -72.85 -62.13 1.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 110.329 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 100' ' ' LEU . 3.8 m-80 -51.58 -54.09 31.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.46 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 8.8 t80 -40.55 -54.14 2.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -44.96 -56.94 4.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 110' ' ' ASN . 0.0 OUTLIER -61.61 -54.6 40.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -42.82 -36.59 1.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt -71.83 -44.43 63.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 107' ' ' ARG . 34.3 m-20 -47.09 -35.54 7.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -93.21 -25.12 17.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.28 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 9.3 t -60.98 -66.7 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 108.328 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.52 -49.54 2.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.339 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -44.19 -85.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.301 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 77.99 134.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -40.86 122.4 1.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 62.93 132.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -44.37 167.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 110.278 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -112.23 39.66 2.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 2.5 mp -40.82 133.31 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 75.36 95.22 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 7.5 tpp85 -54.59 124.89 17.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.133 . . . . 0.0 110.263 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -44.99 -60.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -149.85 173.46 13.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.55 -59.57 1.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.022 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 148.4 97.16 0.18 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.489 1.118 . . . . 0.0 111.045 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 163.8 34.63 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.444 1.76 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 38.0 t -176.38 -55.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.036 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.46 141.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.05 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.99 115.21 18.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 110.028 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.5 t -168.9 152.97 5.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.586 1.179 . . . . 0.0 110.027 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.73 82.1 1.59 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.1 p -125.93 131.53 52.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 0.761 . . . . 0.0 110.04 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.2 p -80.91 98.06 7.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.031 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.85 158.73 9.83 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.443 1.089 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 175.97 10.54 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.433 1.754 . . . . 0.0 110.964 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.6 t -128.34 111.6 24.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -41.32 -41.17 1.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.8 t -148.94 111.46 4.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 108.302 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.7 m -96.76 134.03 40.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 109.999 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.454 HG23 ' CA ' ' A' ' 28' ' ' GLY . 70.5 t -91.74 122.46 43.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.452 ' CG2' HD22 ' A' ' 49' ' ' LEU . 2.0 mm -104.68 99.58 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -110.75 99.59 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' A' ' 16' ' ' VAL . 10.7 m -79.72 61.23 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 173.44 176.27 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 109.306 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -113.72 -34.49 5.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.424 ' NE2' ' O ' ' A' ' 19' ' ' GLN . 0.1 OUTLIER -49.36 -48.34 46.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 110.32 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.39 55.16 3.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.388 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.511 ' O ' ' CG ' ' A' ' 25' ' ' GLU . 3.3 tttt -88.57 -69.14 0.72 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -47.84 -43.84 28.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -58.87 -65.79 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.142 . . . . 0.0 111.029 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.96 -40.69 44.69 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.56 1.162 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 4.2 mm-40 -54.5 -27.77 40.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 0.0 110.265 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 29' ' ' ARG . 6.1 t -77.05 -65.06 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.996 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -49.18 -29.22 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.466 ' O ' ' CG1' ' A' ' 38' ' ' VAL . . . -77.6 -27.81 58.46 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -91.74 -27.81 17.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 0.737 . . . . 0.0 110.283 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.8 mmtt -59.6 -36.72 76.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.471 ' HB ' ' CG2' ' A' ' 38' ' ' VAL . 74.2 t -72.09 -28.59 30.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -72.23 -32.12 66.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -59.95 -19.78 53.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.12 -11.2 44.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.46 21.66 23.85 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.545 1.153 . . . . 0.0 111.025 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 91.5 mtp -105.1 136.05 45.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 0.762 . . . . 0.0 111.044 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.2 t -66.51 123.01 18.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.471 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 97.4 t -132.66 148.86 31.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -135.91 168.32 19.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.283 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.492 ' CD2' ' HG2' ' A' ' 25' ' ' GLU . 0.3 OUTLIER -121.42 123.93 43.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.7 mt -111.97 114.09 46.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.479 ' CE2' HD21 ' A' ' 40' ' ' LEU . 37.5 m-85 -99.43 125.99 45.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 111.052 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 mt -120.11 73.79 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.251 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 31.3 m-20 -74.66 -59.21 2.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.491 ' CG2' ' O ' ' A' ' 45' ' ' THR . 2.1 m -148.37 52.3 1.01 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 110.366 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -106.94 -83.75 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.328 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -133.22 -143.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.249 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.0 m -108.21 -177.66 3.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.965 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.452 HD22 ' CG2' ' A' ' 14' ' ' ILE . 0.5 OUTLIER -70.01 -59.3 2.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 95.4 p -43.09 -45.31 5.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 109.955 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -47.44 -36.29 9.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.286 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.68 -40.89 32.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.2 mt -60.92 -32.19 71.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -69.36 -30.57 68.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 110.325 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -83.36 -24.63 31.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.443 HG11 ' CB ' ' A' ' 61' ' ' SER . 69.5 t -65.93 -51.08 65.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.83 -61.4 2.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.006 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.414 ' HG2' ' N ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER -54.99 -36.53 65.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.414 ' N ' ' HG2' ' A' ' 58' ' ' ARG . . . -66.88 -29.65 74.97 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.63 -29.03 6.23 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.443 ' CB ' HG11 ' A' ' 56' ' ' VAL . 0.9 OUTLIER -39.03 115.27 0.92 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.482 0.754 . . . . 0.0 110.004 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.421 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.4 Cg_endo -74.93 -40.92 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.524 1.802 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.522 ' CD1' HG12 ' A' ' 81' ' ' ILE . 11.4 m-30 -116.65 153.43 32.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.91 123.35 13.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.468 ' CG2' HD11 ' A' ' 67' ' ' ILE . 15.5 mt -94.82 132.94 37.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.531 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 0.8 OUTLIER -101.38 132.66 46.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.468 HD11 ' CG2' ' A' ' 65' ' ' ILE . 4.4 mm -126.32 154.82 36.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.446 HG21 ' CG ' ' A' ' 71' ' ' HIS . 3.7 t -175.13 162.86 3.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.397 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.1 -64.77 0.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 73' ' ' ILE . 1.1 tp60 -51.09 -58.57 5.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.531 ' CE1' ' CG1' ' A' ' 66' ' ' VAL . 16.0 m170 -42.65 -31.1 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.649 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -71.37 -46.32 60.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 70' ' ' GLN . 14.7 mt -63.06 -40.18 88.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -89.08 -4.86 58.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.599 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 71' ' ' HIS . 5.8 mtp180 49.87 29.86 3.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.501 ' O ' ' CD2' ' A' ' 71' ' ' HIS . 1.1 p -122.55 143.3 49.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.04 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.436 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 1.8 p -124.62 174.2 8.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.128 . . . . 0.0 108.294 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 40.1 m -112.45 112.66 24.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.421 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 92.0 t -90.37 114.08 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.359 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -112.65 126.69 55.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.522 HG12 ' CD1' ' A' ' 63' ' ' PHE . 22.3 mt -88.54 145.77 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 62' ' ' PRO . 7.0 mmt -112.78 -27.88 7.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.591 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -94.97 151.72 18.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.982 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 52.61 -159.56 3.14 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.2 m -45.76 119.23 4.59 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 0.0 110.396 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 105.18 2.03 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.499 1.789 . . . . 0.0 110.998 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -110.77 120.34 42.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -97.33 104.32 16.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.568 1.168 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.401 ' CE1' HD13 ' A' ' 100' ' ' LEU . 84.9 m-70 -90.98 111.14 22.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.628 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -99.02 131.17 45.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 110.256 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 54.48 100.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 14.7 mmm -138.43 137.35 20.29 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 94' ' ' GLN . 18.3 Cg_endo -74.96 139.53 24.51 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.543 1.812 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -38.32 -68.71 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.266 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 98' ' ' MET . . . -38.39 -68.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -47.39 -41.69 20.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 94' ' ' GLN . . . -60.56 -35.46 76.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 95' ' ' ALA . 31.6 mmt -73.72 -31.79 63.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.501 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.4 OUTLIER -79.79 -40.19 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.418 ' N ' HG13 ' A' ' 99' ' ' VAL . 0.1 OUTLIER -65.99 -32.76 74.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.7 OUTLIER -83.48 -48.12 17.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.475 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -61.07 -32.21 71.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.501 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 7.3 mmm-85 -75.54 -69.09 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 110.249 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -44.89 -49.83 10.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.44 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 17.4 t80 -43.36 -55.63 3.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -44.4 -55.66 4.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.35 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.413 ' HA ' ' ND2' ' A' ' 110' ' ' ASN . 0.0 OUTLIER -64.16 -54.1 39.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.414 ' CZ ' ' HG3' ' A' ' 62' ' ' PRO . 8.8 t80 -40.47 -49.93 2.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.105 . . . . 0.0 110.995 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 112' ' ' CYS . 3.2 mtmt -58.54 -50.37 74.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.413 ' ND2' ' HA ' ' A' ' 107' ' ' ARG . 23.3 m-20 -47.67 -30.51 3.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -93.73 -25.66 17.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . 0.414 ' N ' ' O ' ' A' ' 109' ' ' LYS . 23.7 t -72.56 -67.86 0.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 108.267 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -43.61 -60.74 1.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 63.19 129.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -46.52 -50.49 17.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 117' ' ' ARG . 26.5 mt-10 -149.99 105.65 3.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.123 . . . . 0.0 110.322 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -36.39 139.72 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 110.322 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -45.79 159.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.287 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -104.7 36.99 2.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 7.2 mm -40.09 124.24 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -118.75 72.85 0.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 109.273 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -171.92 103.66 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.296 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -127.43 161.7 28.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -179.3 68.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -99.96 122.61 43.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 179.34 155.57 15.33 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.11 . . . . 0.0 111.044 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 156.71 42.88 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.5 1.789 . . . . 0.0 110.961 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.54 -55.41 4.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.988 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 35.8 p -77.79 142.15 38.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.963 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.6 t . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -44.11 -44.96 7.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.152 . . . . 0.0 109.363 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.704 ' O ' HG13 ' A' ' 38' ' ' VAL . 49.7 t -146.37 101.64 3.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 108.301 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.81 137.84 31.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.178 . . . . 0.0 110.022 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 73.3 t -97.65 126.67 50.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.702 HG21 ' CD2' ' A' ' 49' ' ' LEU . 3.9 mm -103.29 116.69 47.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -132.07 99.91 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.515 HG12 HD12 ' A' ' 43' ' ' LEU . 13.3 m -69.96 -43.85 79.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.355 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.518 ' O ' HG22 ' A' ' 15' ' ' VAL . 0.6 OUTLIER -76.86 169.46 18.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -104.07 -45.17 4.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.12 -39.09 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.7 p -85.35 49.25 1.72 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.439 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -86.83 -40.66 14.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -81.17 -54.44 5.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.517 ' CE2' ' HA ' ' A' ' 72' ' ' GLN . 2.3 t80 -48.95 -42.58 37.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.597 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -74.54 -33.27 62.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -14.4 17.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.32 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 29' ' ' ARG . 8.9 t -91.37 -67.28 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.96 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.725 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -39.38 -34.19 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.698 ' HA2' HG11 ' A' ' 38' ' ' VAL . . . -72.52 -48.83 21.73 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.551 1.157 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.3 ptt180 -67.01 -29.79 69.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 0.742 . . . . 0.0 110.34 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -58.88 -43.85 91.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.344 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.964 ' HB ' HG21 ' A' ' 38' ' ' VAL . 99.5 t -68.51 -25.54 31.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -75.08 -32.3 61.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -61.59 -18.1 57.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.499 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.8 OUTLIER -89.98 -12.5 38.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.35 26.47 10.06 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.607 ' HE1' HG22 ' A' ' 101' ' ' VAL . 74.6 mtp -112.05 133.46 54.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 0.726 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 49.2 t -65.76 126.44 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.964 HG21 ' HB ' ' A' ' 31' ' ' VAL . 84.2 t -134.85 148.5 29.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -137.1 168.34 19.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.03 126.29 51.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.45 ' O ' HG13 ' A' ' 15' ' ' VAL . 21.2 mt -109.89 112.07 38.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -99.47 124.19 44.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.515 HD12 HG12 ' A' ' 16' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.8 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.702 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.8 OUTLIER -62.09 -58.84 6.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 53' ' ' LEU . 0.7 OUTLIER -42.19 -55.05 3.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.996 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -41.66 -36.97 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.334 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.705 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -80.79 -41.18 23.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 50' ' ' SER . 80.0 mt -59.09 -38.22 78.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -64.43 -40.03 94.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 0.0 110.257 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.466 ' HA ' ' CD ' ' A' ' 58' ' ' ARG . 14.7 t0 -76.3 -25.48 54.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.728 HG11 ' HB2' ' A' ' 64' ' ' ALA . 19.0 t -62.45 -53.39 47.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.087 . . . . 0.0 109.245 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.48 -61.94 1.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.003 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.466 ' CD ' ' HA ' ' A' ' 55' ' ' ASP . 0.2 OUTLIER -49.94 -34.09 19.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.318 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -71.28 -30.29 67.36 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 120.9 -27.89 6.32 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.637 ' HB3' HG13 ' A' ' 56' ' ' VAL . 0.5 OUTLIER -41.33 108.99 0.61 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 110.02 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.1 Cg_endo -75.03 -37.04 2.19 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.478 1.778 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.567 ' CD1' HG12 ' A' ' 81' ' ' ILE . 10.7 m-30 -116.58 135.93 53.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.728 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -129.09 123.47 32.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.432 HG23 ' HB2' ' A' ' 77' ' ' CYS . 11.1 mt -95.1 137.86 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.499 ' CG2' HD11 ' A' ' 49' ' ' LEU . 0.5 OUTLIER -104.81 130.15 56.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.725 HD11 HG11 ' A' ' 27' ' ' VAL . 3.8 mm -127.01 151.31 33.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.583 1.177 . . . . 0.0 109.289 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.554 HG22 ' CD2' ' A' ' 71' ' ' HIS . 1.6 t -175.83 161.63 2.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 110.39 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.43 ' O ' ' CB ' ' A' ' 72' ' ' GLN . 1.4 mt-30 -38.51 -65.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.523 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.3 mt-30 -47.68 -60.8 2.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 110.339 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.554 ' CD2' HG22 ' A' ' 68' ' ' THR . 33.3 m-70 -43.06 -31.72 0.58 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.613 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.517 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 3.0 tt0 -63.63 -48.77 75.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.523 HD12 ' HA ' ' A' ' 70' ' ' GLN . 5.9 mt -60.68 -66.38 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.25 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -57.85 -22.52 48.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.634 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 71' ' ' HIS . 2.8 mtp180 63.39 42.26 6.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.2 p -137.56 143.42 41.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.959 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.432 ' HB2' HG23 ' A' ' 65' ' ' ILE . 1.9 p -118.88 174.97 5.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.08 . . . . 0.0 108.328 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 89' ' ' HIS . 31.7 m -114.91 112.45 22.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.437 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 99.3 t -89.89 110.62 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -112.71 114.2 26.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.567 HG12 ' CD1' ' A' ' 63' ' ' PHE . 27.5 mt -75.72 149.65 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 62' ' ' PRO . 13.8 mmt -113.54 -21.16 10.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -106.73 151.89 24.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 111.02 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 67.0 -172.96 28.73 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.456 1.098 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.754 HG23 ' HD2' ' A' ' 86' ' ' PRO . 2.5 m -38.77 146.51 0.31 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.489 0.758 . . . . 0.0 110.366 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.754 ' HD2' HG23 ' A' ' 85' ' ' THR . 18.3 Cg_endo -75.05 92.6 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.486 1.782 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -108.17 114.74 28.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -112.01 105.25 13.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.584 ' CE1' ' CD1' ' A' ' 100' ' ' LEU . 59.5 m-70 -88.95 111.34 21.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.591 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.1 mtm105 -102.92 132.04 49.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.28 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 58.87 94.46 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.407 1.067 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.466 ' CE ' ' HB3' ' A' ' 96' ' ' ASP . 12.6 mmm -141.49 134.9 14.47 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 140.05 25.1 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.473 1.775 . . . . 0.0 111.027 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -38.16 -62.96 0.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -39.9 -55.06 2.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.466 ' HB3' ' CE ' ' A' ' 92' ' ' MET . 0.2 OUTLIER -57.78 -59.03 5.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 109.274 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -45.48 -46.23 13.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.256 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.437 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 34.9 mmt -59.2 -31.26 68.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 111.037 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 96' ' ' ASP . 0.4 OUTLIER -82.5 -44.16 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.421 1.075 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.584 ' CD1' ' CE1' ' A' ' 89' ' ' HIS . 0.0 OUTLIER -64.35 -27.83 69.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.607 HG22 ' HE1' ' A' ' 36' ' ' MET . 0.6 OUTLIER -87.71 -47.53 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.267 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.465 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -63.28 -33.08 74.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.438 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 6.8 mmm180 -75.16 -62.02 1.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -50.57 -55.95 13.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.446 ' HB2' ' HE1' ' A' ' 36' ' ' MET . 21.9 t80 -38.72 -56.57 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -43.75 -55.55 4.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.3 t . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.6 -45.94 27.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.509 ' O ' HG13 ' A' ' 38' ' ' VAL . 14.0 t -148.97 108.19 3.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 108.292 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.49 126.71 36.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.0 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 90.4 t -87.49 129.0 39.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.745 HG21 ' CD2' ' A' ' 49' ' ' LEU . 2.8 mm -106.18 107.62 23.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -120.42 104.26 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.975 HG12 HD12 ' A' ' 43' ' ' LEU . 35.6 m -80.68 -31.07 12.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -79.64 135.49 36.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -92.44 21.02 5.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.82 -35.82 5.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.339 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.453 HG21 ' O ' ' A' ' 68' ' ' THR . 2.3 p -83.66 51.59 2.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.432 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.518 ' HE3' ' CZ ' ' A' ' 42' ' ' PHE . 11.3 tttt -84.34 -47.36 10.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -70.47 -22.73 62.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -86.37 -60.81 1.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.97 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.807 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -50.68 -43.03 57.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.809 ' HG2' HD22 ' A' ' 40' ' ' LEU . 33.2 mt-10 -59.14 -15.8 16.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 29' ' ' ARG . 5.8 t -84.86 -69.58 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.013 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.663 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -40.33 -31.14 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.709 ' HA2' HG11 ' A' ' 38' ' ' VAL . . . -74.01 -47.98 17.25 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 26' ' ' SER . 0.7 OUTLIER -65.87 -26.75 67.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.6 0.824 . . . . 0.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.0 mmtt -64.77 -39.73 94.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.96 ' HB ' HG21 ' A' ' 38' ' ' VAL . 71.9 t -72.75 -28.81 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -72.5 -31.93 65.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -60.24 -18.13 46.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.7 OUTLIER -90.73 -11.54 39.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.79 23.8 14.77 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.529 1.143 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.501 ' HB2' HG12 ' A' ' 31' ' ' VAL . 93.8 mtp -106.96 134.5 50.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 0.784 . . . . 0.0 111.03 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 51.2 t -67.07 122.12 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.96 HG21 ' HB ' ' A' ' 31' ' ' VAL . 60.2 t -130.77 150.33 34.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -139.6 168.21 20.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.809 HD22 ' HG2' ' A' ' 25' ' ' GLU . 1.2 mp -119.99 128.32 53.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.6 mt -112.58 105.81 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.518 ' CZ ' ' HE3' ' A' ' 21' ' ' LYS . 46.4 m-85 -92.66 126.94 37.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.975 HD12 HG12 ' A' ' 16' ' ' VAL . 2.9 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.1 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.745 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.6 OUTLIER -56.49 -61.67 2.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.4 p -43.0 -50.87 5.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -42.83 -32.93 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.985 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -87.36 -42.17 13.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.441 ' HG ' HD22 ' A' ' 49' ' ' LEU . 48.3 mt -57.47 -32.73 67.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -66.5 -54.37 24.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 110.304 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.449 ' HA ' ' CD ' ' A' ' 58' ' ' ARG . 25.6 t0 -64.32 -27.16 68.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 109.286 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.985 HG23 ' O ' ' A' ' 52' ' ' ALA . 46.6 t -59.5 -65.24 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -61.6 2.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.072 . . . . 0.0 109.996 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.449 ' CD ' ' HA ' ' A' ' 55' ' ' ASP . 3.8 ptm180 -49.59 -36.59 24.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 55' ' ' ASP . . . -67.82 -24.85 74.28 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 115.48 -23.01 11.47 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.517 ' CB ' HG13 ' A' ' 56' ' ' VAL . 5.7 m -42.32 112.61 1.12 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.776 . . . . 0.0 110.036 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.422 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.3 Cg_endo -74.98 -44.21 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.48 1.779 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.562 ' CD1' HG12 ' A' ' 81' ' ' ILE . 10.7 m-30 -113.63 144.71 42.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.545 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -138.46 123.11 18.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.245 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.546 HG23 ' HB2' ' A' ' 77' ' ' CYS . 10.6 mt -94.91 141.15 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.43 ' CG1' ' HB ' ' A' ' 78' ' ' THR . 0.5 OUTLIER -104.41 126.95 59.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.807 HG21 ' HB2' ' A' ' 24' ' ' ALA . 6.3 mm -121.94 125.47 73.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.453 ' O ' HG21 ' A' ' 20' ' ' THR . 68.1 p -135.27 -161.13 1.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 110.434 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -79.23 -65.09 1.04 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.419 ' C ' ' N ' ' A' ' 72' ' ' GLN . 2.9 tp60 -53.03 -47.51 68.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.453 ' O ' ' N ' ' A' ' 75' ' ' ARG . 8.9 m170 -44.3 -26.87 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.59 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.419 ' N ' ' C ' ' A' ' 70' ' ' GLN . 2.0 tt0 -72.09 -54.62 9.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.0 mt -57.5 -38.34 62.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -85.13 -17.31 37.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.586 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 71' ' ' HIS . 3.7 mtp180 58.98 31.57 21.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.244 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.446 ' O ' ' CD2' ' A' ' 71' ' ' HIS . 1.1 p -123.21 147.14 47.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.952 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.546 ' HB2' HG23 ' A' ' 65' ' ' ILE . 1.4 p -122.9 175.51 6.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 108.292 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.475 HG23 ' O ' ' A' ' 89' ' ' HIS . 53.1 m -116.51 117.84 31.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.417 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.833 HG11 HD21 ' A' ' 100' ' ' LEU . 57.3 t -89.76 121.96 40.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -124.84 102.67 7.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.341 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.562 HG12 ' CD1' ' A' ' 63' ' ' PHE . 25.5 mt -72.41 146.55 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.422 ' N ' ' O ' ' A' ' 62' ' ' PRO . 9.3 mmt -110.03 -26.68 9.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.503 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -104.86 151.84 23.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.54 -156.66 51.19 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.689 HG23 ' HD2' ' A' ' 86' ' ' PRO . 1.4 m -62.15 144.52 94.39 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.767 . . . . 0.0 110.363 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.689 ' HD2' HG23 ' A' ' 85' ' ' THR . 18.3 Cg_endo -75.02 110.37 3.1 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 110.994 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -126.87 108.87 11.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.343 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -104.15 106.95 17.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.329 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.475 ' O ' HG23 ' A' ' 78' ' ' THR . 95.2 m-70 -97.06 110.04 22.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.608 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -91.72 132.96 36.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 110.349 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 54.88 92.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.404 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 17.0 mtp -125.96 136.61 28.71 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 92' ' ' MET . 18.3 Cg_endo -75.0 140.32 25.3 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.485 1.781 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -38.27 -67.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.267 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -38.67 -69.39 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.127 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 99' ' ' VAL . 0.7 OUTLIER -43.97 -56.38 3.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 109.327 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -47.79 -45.55 29.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 34.2 mmt -66.68 -24.98 66.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 111.042 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.459 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.4 OUTLIER -84.22 -47.25 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.833 HD21 HG11 ' A' ' 79' ' ' VAL . 0.1 OUTLIER -60.64 -29.76 69.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.488 ' O ' ' CB ' ' A' ' 105' ' ' TYR . 0.8 OUTLIER -84.85 -48.69 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.478 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -62.57 -26.69 68.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.459 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 3.1 mmm180 -82.58 -59.44 2.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -55.37 -52.6 62.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.357 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.488 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 18.0 t80 -41.34 -50.14 3.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -49.1 -57.92 5.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.336 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.256 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.423 HG12 ' C ' ' A' ' 11' ' ' CYS . 84.1 t . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.02 -41.77 1.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.612 ' SG ' HD12 ' A' ' 65' ' ' ILE . 19.7 t -147.84 106.64 3.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 108.324 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.67 129.37 38.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.987 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.461 ' CG1' HG13 ' A' ' 67' ' ' ILE . 43.0 t -87.39 132.83 31.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.804 HG21 ' CD2' ' A' ' 49' ' ' LEU . 2.8 mm -112.7 113.5 44.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.61 HG22 ' O ' ' A' ' 17' ' ' ASN . 0.4 OUTLIER -126.16 100.98 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.546 ' CG1' HD12 ' A' ' 43' ' ' LEU . 8.2 m -77.5 -15.72 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.61 ' O ' HG22 ' A' ' 15' ' ' VAL . 33.3 m120 -92.76 152.91 19.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -104.46 6.3 34.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.7 tm0? -97.39 -39.38 9.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.1 p -84.97 54.35 3.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 110.399 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.412 ' HE3' ' CZ ' ' A' ' 42' ' ' PHE . 7.1 tttt -81.8 -50.55 9.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -70.53 -45.03 66.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -56.98 -57.24 13.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.867 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -57.78 -36.32 71.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.836 ' CG ' HD22 ' A' ' 40' ' ' LEU . 2.3 mt-10 -66.08 -9.73 33.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.346 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 29' ' ' ARG . 5.2 t -90.94 -71.06 0.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.007 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.674 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -41.52 -30.11 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.622 ' CA ' HG11 ' A' ' 38' ' ' VAL . . . -74.5 -46.66 18.7 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 111.055 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 26' ' ' SER . 16.5 ptt180 -66.25 -36.94 84.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 0.776 . . . . 0.0 110.299 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.417 ' N ' ' CG ' ' A' ' 29' ' ' ARG . 11.6 mmtt -54.1 -34.81 61.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.88 ' HB ' HG21 ' A' ' 38' ' ' VAL . 91.8 t -75.02 -26.49 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -74.69 -31.52 61.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -61.13 -18.79 59.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.7 OUTLIER -88.98 -11.85 43.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.078 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.12 21.16 21.29 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.531 1.144 . . . . 0.0 110.952 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.543 ' O ' HG23 ' A' ' 38' ' ' VAL . 96.0 mtp -104.89 134.98 47.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.7 t -65.55 121.57 14.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.88 HG21 ' HB ' ' A' ' 31' ' ' VAL . 34.9 t -128.62 153.29 37.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -146.8 167.6 23.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.836 HD22 ' CG ' ' A' ' 25' ' ' GLU . 1.3 mp -119.47 128.46 54.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.7 mt -114.78 105.19 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.412 ' CZ ' ' HE3' ' A' ' 21' ' ' LYS . 50.7 m-85 -89.52 130.16 35.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.546 HD12 ' CG1' ' A' ' 16' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.804 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.8 OUTLIER -50.87 -59.83 3.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.98 -51.25 7.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.31 -34.18 1.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.295 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.562 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -85.48 -40.03 16.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.456 ' HG ' HD22 ' A' ' 49' ' ' LEU . 66.8 mt -58.85 -42.92 90.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -61.39 -28.63 69.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.457 ' HA ' ' CD ' ' A' ' 58' ' ' ARG . 10.6 t0 -83.58 -26.9 29.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.776 HG11 ' HB2' ' A' ' 64' ' ' ALA . 40.8 t -62.31 -44.06 98.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.32 -59.21 2.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.038 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.457 ' CD ' ' HA ' ' A' ' 55' ' ' ASP . 6.3 ptm180 -55.42 -33.86 63.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.264 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.412 ' N ' ' HG2' ' A' ' 58' ' ' ARG . . . -70.4 -32.12 68.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.545 1.153 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 123.68 -32.04 4.39 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.701 ' HB3' HG13 ' A' ' 56' ' ' VAL . 1.0 OUTLIER -39.15 115.9 0.99 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.458 0.74 . . . . 0.0 110.013 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.442 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.3 Cg_endo -74.99 -44.43 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.462 1.77 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.557 ' CE1' HG12 ' A' ' 81' ' ' ILE . 9.5 m-30 -113.08 153.1 28.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 111.027 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.776 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -143.23 126.57 16.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.612 HD12 ' SG ' ' A' ' 11' ' ' CYS . 4.7 mt -95.26 136.73 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.523 HG22 HD11 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -100.24 126.1 53.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.358 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.867 HG21 ' HB2' ' A' ' 24' ' ' ALA . 6.0 mm -122.74 121.96 64.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 69.2 p -129.99 -152.18 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.387 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -88.61 -64.18 1.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.271 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.699 ' HA ' HD12 ' A' ' 73' ' ' ILE . 5.4 mt-30 -54.21 -43.63 70.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.489 ' CD2' ' O ' ' A' ' 76' ' ' SER . 11.0 m170 -47.04 -26.52 1.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.647 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -74.86 -40.34 61.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.342 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.699 HD12 ' HA ' ' A' ' 70' ' ' GLN . 12.0 mt -66.53 -42.52 90.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -86.49 -14.91 41.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.571 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 71' ' ' HIS . 1.9 mtp180 58.6 36.63 25.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.357 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.489 ' O ' ' CD2' ' A' ' 71' ' ' HIS . 4.2 p -125.82 144.18 50.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.955 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.548 ' HB2' HG23 ' A' ' 65' ' ' ILE . 2.3 p -119.79 174.77 6.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 108.248 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.663 HG23 ' O ' ' A' ' 89' ' ' HIS . 25.2 m -116.23 116.53 27.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 110.42 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.574 HG11 HD21 ' A' ' 100' ' ' LEU . 59.0 t -90.04 118.26 34.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -118.32 109.98 16.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.557 HG12 ' CE1' ' A' ' 63' ' ' PHE . 29.4 mt -76.42 144.13 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 62' ' ' PRO . 3.6 mmt -111.48 -28.11 8.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.516 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -96.64 157.45 15.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.095 . . . . 0.0 110.976 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 59.05 -168.48 6.5 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.536 1.147 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.748 HG23 ' HD2' ' A' ' 86' ' ' PRO . 2.7 m -41.06 146.35 0.5 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.51 0.771 . . . . 0.0 110.438 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.748 ' HD2' HG23 ' A' ' 85' ' ' THR . 18.2 Cg_endo -75.0 91.61 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.507 1.793 . . . . 0.0 110.997 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -107.96 110.78 22.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -114.1 109.4 18.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.663 ' O ' HG23 ' A' ' 78' ' ' THR . 37.8 m-70 -91.65 132.61 36.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.592 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.4 mtm-85 -116.18 124.99 51.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.9 t30 62.42 95.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.474 ' CE ' ' HB3' ' A' ' 96' ' ' ASP . 15.9 mmm -136.48 137.37 23.92 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 111.027 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 92' ' ' MET . 18.4 Cg_endo -74.97 142.46 27.99 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.496 1.787 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -37.9 -70.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 110.333 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -37.31 -59.91 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.474 ' HB3' ' CE ' ' A' ' 92' ' ' MET . 0.5 OUTLIER -49.3 -58.64 4.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -48.51 -46.1 38.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.427 ' HE1' ' HA ' ' A' ' 94' ' ' GLN . 0.0 OUTLIER -60.91 -26.52 67.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -86.83 -45.37 16.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.574 HD21 HG11 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -63.47 -27.68 69.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.502 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.7 OUTLIER -85.33 -49.44 15.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.502 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -62.96 -34.72 78.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 -70.91 -67.27 0.52 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.12 . . . . 0.0 110.347 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -45.16 -54.08 7.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -43.37 -57.71 2.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -41.34 -58.83 1.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 110.332 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.483 HG12 ' O ' ' A' ' 11' ' ' CYS . 58.8 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.09 -47.69 11.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.483 ' O ' HG12 ' A' ' 9' ' ' VAL . 4.1 t -137.45 129.14 28.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 108.299 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.4 m -112.56 121.47 44.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.973 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.9 t -86.9 119.56 34.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.771 HG21 HD23 ' A' ' 49' ' ' LEU . 1.4 mm -103.48 105.25 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -112.57 97.21 5.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.775 HG12 HD12 ' A' ' 43' ' ' LEU . 10.7 m -76.74 68.86 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.345 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 167.55 169.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -116.53 24.22 11.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.14 -53.3 2.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 p -77.98 57.76 1.82 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 0.0 110.344 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.555 ' HE3' ' CZ ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -83.74 -55.29 4.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -61.67 -50.68 71.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.494 ' CE1' HG23 ' A' ' 67' ' ' ILE . 22.9 t80 -55.8 -59.83 4.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 111.013 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.424 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -53.09 -41.09 64.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.123 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.86 ' HG2' HD22 ' A' ' 40' ' ' LEU . 5.8 mt-10 -63.24 -11.77 23.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 29' ' ' ARG . 4.4 t -88.14 -70.61 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.552 HG11 HG21 ' A' ' 65' ' ' ILE . 0.3 OUTLIER -40.79 -31.69 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.775 ' HA2' HG11 ' A' ' 38' ' ' VAL . . . -73.91 -47.64 18.85 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.434 1.084 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 26' ' ' SER . 16.8 ptt85 -66.3 -26.18 67.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.771 . . . . 0.0 110.272 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -65.91 -41.84 90.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.855 ' HB ' HG21 ' A' ' 38' ' ' VAL . 95.4 t -68.81 -25.85 31.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.412 ' HG2' HG23 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -74.56 -32.48 62.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.346 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -62.69 -16.21 56.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 31' ' ' VAL . 1.0 OUTLIER -91.35 -11.52 37.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.91 29.78 8.37 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.114 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.548 ' O ' HG23 ' A' ' 38' ' ' VAL . 93.2 mtp -115.75 134.98 54.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 26.1 t -65.56 121.58 14.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.855 HG21 ' HB ' ' A' ' 31' ' ' VAL . 31.1 t -128.23 149.01 32.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -140.2 168.01 20.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.86 HD22 ' HG2' ' A' ' 25' ' ' GLU . 0.9 OUTLIER -121.94 128.03 51.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.252 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.529 ' CG2' HD21 ' A' ' 43' ' ' LEU . 23.7 mt -115.32 110.06 30.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.555 ' CZ ' ' HE3' ' A' ' 21' ' ' LYS . 55.6 m-85 -94.79 117.77 30.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.775 HD12 HG12 ' A' ' 16' ' ' VAL . 6.8 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.1 t . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.771 HD23 HG21 ' A' ' 14' ' ' ILE . 0.6 OUTLIER -50.46 -61.45 2.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.336 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.7 p -41.27 -53.34 3.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 110.023 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -42.01 -36.55 1.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.278 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.949 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -81.92 -42.21 19.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.454 ' HG ' HD22 ' A' ' 49' ' ' LEU . 56.6 mt -58.59 -38.95 79.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -62.82 -46.75 86.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.302 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -68.35 -29.25 67.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.949 HG23 ' O ' ' A' ' 52' ' ' ALA . 55.4 t -61.77 -54.42 34.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -62.98 1.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.017 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.76 -34.83 41.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -70.26 -31.41 68.89 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 122.25 -28.48 5.79 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.681 ' CB ' HG13 ' A' ' 56' ' ' VAL . 32.6 m -40.58 107.17 0.45 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.774 . . . . 0.0 110.012 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.412 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.3 Cg_endo -74.99 -35.33 3.2 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.469 1.773 . . . . 0.0 110.966 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.507 ' CE1' HG12 ' A' ' 81' ' ' ILE . 16.7 m-30 -114.36 145.35 41.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.95 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.61 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -141.96 124.03 15.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.552 HG21 HG11 ' A' ' 27' ' ' VAL . 10.0 mt -97.03 140.06 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.079 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.442 ' CG1' ' HB ' ' A' ' 78' ' ' THR . 0.7 OUTLIER -105.19 137.56 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.24 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.494 HG23 ' CE1' ' A' ' 23' ' ' TYR . 4.0 mm -128.01 153.26 37.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.085 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.572 HG22 ' CD2' ' A' ' 71' ' ' HIS . 2.0 t -173.82 159.39 3.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 110.397 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -39.17 -65.43 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 73' ' ' ILE . 0.0 OUTLIER -49.96 -59.21 4.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.242 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.572 ' CD2' HG22 ' A' ' 68' ' ' THR . 9.3 m-70 -40.35 -33.26 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 109.577 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -66.42 -50.29 63.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 70' ' ' GLN . 14.0 mt -57.99 -60.17 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -67.44 -10.25 49.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.594 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.4 mpp_? 54.13 38.74 29.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 0.0 110.344 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.429 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 0.9 OUTLIER -130.51 145.62 51.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.023 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.458 ' HB2' HG23 ' A' ' 65' ' ' ILE . 1.5 p -122.94 175.48 6.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 108.351 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.451 HG23 ' O ' ' A' ' 89' ' ' HIS . 15.9 m -115.56 115.56 26.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.417 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.475 HG11 HD21 ' A' ' 100' ' ' LEU . 58.4 t -90.44 128.19 42.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 -127.84 110.64 12.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.507 HG12 ' CE1' ' A' ' 63' ' ' PHE . 42.3 mt -78.13 144.27 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.412 ' N ' ' O ' ' A' ' 62' ' ' PRO . 11.1 mmt -106.75 -27.67 10.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.48 ' O ' ' CG2' ' A' ' 81' ' ' ILE . 0.3 OUTLIER -102.2 150.95 22.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 71.86 -171.4 47.87 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.462 1.101 . . . . 0.0 111.042 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.746 HG23 ' HD2' ' A' ' 86' ' ' PRO . 2.7 m -45.29 146.43 1.59 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.77 . . . . 0.0 110.404 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.746 ' HD2' HG23 ' A' ' 85' ' ' THR . 18.3 Cg_endo -74.97 100.1 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.52 1.8 . . . . 0.0 111.028 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -115.95 118.91 34.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -113.06 109.6 19.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.451 ' O ' HG23 ' A' ' 78' ' ' THR . 67.6 m-70 -91.93 117.66 30.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.569 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -107.3 126.7 52.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 47.8 t30 61.65 97.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 11.4 mmm -141.41 135.21 14.76 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 141.05 26.18 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.51 1.795 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -40.13 -66.94 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -37.61 -52.48 1.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 99' ' ' VAL . 0.3 OUTLIER -60.87 -56.76 17.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.286 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -47.24 -39.15 13.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.419 ' O ' HG12 ' A' ' 101' ' ' VAL . 31.1 mmt -66.98 -31.36 71.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 96' ' ' ASP . 0.4 OUTLIER -82.12 -40.82 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.475 HD21 HG11 ' A' ' 79' ' ' VAL . 0.1 OUTLIER -65.47 -29.38 70.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.486 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.6 OUTLIER -86.53 -49.04 15.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.486 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -60.51 -33.96 73.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 6.0 mmm180 -74.81 -68.48 0.54 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -44.63 -55.26 5.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.447 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 13.3 t80 -39.97 -56.87 1.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -43.84 -55.12 4.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.16 . . . . 0.0 110.328 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.3 t . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.419 ' HB2' ' N ' ' A' ' 37' ' ' VAL . 1.1 m-20 -96.94 -37.4 10.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.847 ' O ' HG13 ' A' ' 38' ' ' VAL . 0.7 OUTLIER -149.13 97.35 2.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 108.331 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.18 128.84 33.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.011 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.433 HG23 ' CG1' ' A' ' 38' ' ' VAL . 55.4 t -92.33 114.62 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.784 HG21 ' CD2' ' A' ' 49' ' ' LEU . 4.7 mm -89.96 110.15 21.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 41' ' ' ILE . 0.9 OUTLIER -123.52 103.79 13.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.543 HG12 ' CD1' ' A' ' 43' ' ' LEU . 6.1 m -79.8 -38.16 18.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -67.37 146.91 53.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.5 mmmt -101.25 5.24 42.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.24 -29.52 11.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 110.321 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.0 p -88.0 61.34 6.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.143 . . . . 0.0 110.372 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.575 ' HE3' ' CZ ' ' A' ' 42' ' ' PHE . 11.1 ttmt -86.54 -60.47 1.99 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -61.84 -53.56 54.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.56 ' CE2' ' HA ' ' A' ' 72' ' ' GLN . 2.9 t80 -47.35 -45.88 25.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 111.015 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.541 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -73.89 -38.34 64.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.28 -18.08 5.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 29' ' ' ARG . 5.8 t -87.71 -68.08 0.78 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 109.997 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.789 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -39.67 -33.0 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.798 ' HA2' HG11 ' A' ' 38' ' ' VAL . . . -74.17 -48.75 14.24 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 26' ' ' SER . 4.0 ptp180 -66.92 -27.66 67.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 0.791 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -63.01 -41.04 99.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.905 ' HB ' HG21 ' A' ' 38' ' ' VAL . 75.6 t -70.57 -25.6 27.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -75.07 -32.0 61.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.313 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -60.57 -19.1 56.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.7 OUTLIER -89.86 -11.33 42.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.96 29.2 8.73 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.521 ' O ' HG23 ' A' ' 38' ' ' VAL . 94.7 mtp -114.72 131.74 56.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 0.764 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.419 ' N ' ' HB2' ' A' ' 10' ' ' ASP . 40.2 t -65.52 122.66 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.905 HG21 ' HB ' ' A' ' 31' ' ' VAL . 39.9 t -127.69 146.92 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -133.85 168.33 18.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.17 123.43 40.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.431 ' O ' HG13 ' A' ' 15' ' ' VAL . 31.1 mt -107.99 104.74 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.575 ' CZ ' ' HE3' ' A' ' 21' ' ' LYS . 41.1 m-85 -90.62 114.37 26.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 110.978 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.543 ' CD1' HG12 ' A' ' 16' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.2 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.784 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.1 OUTLIER -56.37 -59.96 4.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 53' ' ' LEU . 81.7 p -47.08 -51.72 17.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.039 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -47.5 -34.23 7.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 110.277 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 1.011 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -76.54 -34.25 58.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 50' ' ' SER . 29.5 mt -64.53 -54.15 36.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.268 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -56.22 -25.84 48.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.438 ' HA ' ' CD ' ' A' ' 58' ' ' ARG . 7.0 t70 -86.43 -25.32 25.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 1.011 HG23 ' O ' ' A' ' 52' ' ' ALA . 54.9 t -66.04 -61.67 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.8 t -52.5 -61.42 2.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.013 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.438 ' CD ' ' HA ' ' A' ' 55' ' ' ASP . 3.3 ptm180 -49.5 -33.86 15.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.96 -32.27 83.67 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 61' ' ' SER . . . 130.69 -46.49 1.07 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 60' ' ' GLY . 0.2 OUTLIER -36.96 117.15 0.74 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.463 0.743 . . . . 0.0 110.001 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -38.22 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.47 1.774 . . . . 0.0 110.96 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.566 ' CD1' HG12 ' A' ' 81' ' ' ILE . 17.2 m-30 -113.24 149.57 33.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.716 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -145.42 131.14 18.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.45 HG23 ' HB2' ' A' ' 77' ' ' CYS . 4.9 mt -94.97 150.92 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.437 ' CG1' ' HB ' ' A' ' 78' ' ' THR . 0.5 OUTLIER -115.04 123.94 71.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.789 HD11 HG11 ' A' ' 27' ' ' VAL . 4.6 mm -125.09 122.74 63.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 64.2 p -130.77 -149.77 0.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.408 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.04 -63.13 1.34 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.892 ' HA ' HD12 ' A' ' 73' ' ' ILE . 10.8 mt-30 -51.84 -45.11 63.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 76' ' ' SER . 12.1 m170 -48.63 -31.06 6.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.582 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.56 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 6.8 tt0 -67.8 -35.24 78.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.892 HD12 ' HA ' ' A' ' 70' ' ' GLN . 10.7 mt -70.02 -65.28 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -65.16 -18.34 65.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.565 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 71' ' ' HIS . 0.8 OUTLIER 62.55 49.33 4.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 110.314 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.59 ' O ' ' CD2' ' A' ' 71' ' ' HIS . 1.4 m -137.17 147.86 46.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.046 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.45 ' HB2' HG23 ' A' ' 65' ' ' ILE . 2.1 p -121.31 175.51 6.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 108.285 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.725 HG23 ' O ' ' A' ' 89' ' ' HIS . 36.5 m -118.29 121.71 41.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.393 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.55 HG11 HD21 ' A' ' 100' ' ' LEU . 97.7 t -89.91 111.52 23.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -110.16 119.7 40.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.566 HG12 ' CD1' ' A' ' 63' ' ' PHE . 32.1 mt -89.12 144.57 8.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.158 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.4 mmt -111.02 -28.43 8.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.965 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.567 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -91.73 152.61 20.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 58.79 -168.84 5.9 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.735 HG23 ' HD2' ' A' ' 86' ' ' PRO . 2.4 m -38.5 146.58 0.3 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.539 0.787 . . . . 0.0 110.367 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.735 ' HD2' HG23 ' A' ' 85' ' ' THR . 18.4 Cg_endo -74.96 88.3 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.477 1.777 . . . . 0.0 111.021 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -107.89 116.52 32.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -125.91 98.81 5.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.725 ' O ' HG23 ' A' ' 78' ' ' THR . 55.7 m80 -74.86 126.0 30.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.576 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.8 mtp85 -113.99 134.79 54.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 72.28 70.59 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.447 ' CE ' ' HB3' ' A' ' 96' ' ' ASP . 21.8 mmm -131.72 128.96 21.88 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 170.56 20.16 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.529 1.805 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -56.65 -66.15 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -37.79 -70.59 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.447 ' HB3' ' CE ' ' A' ' 92' ' ' MET . 0.2 OUTLIER -45.73 -57.92 3.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -45.21 -51.6 10.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.413 ' O ' HG12 ' A' ' 101' ' ' VAL . 27.5 mmt -57.72 -27.72 63.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 111.047 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.494 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.5 OUTLIER -84.21 -47.31 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.55 HD21 HG11 ' A' ' 79' ' ' VAL . 0.1 OUTLIER -61.58 -28.39 69.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.465 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.8 OUTLIER -85.49 -47.37 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.465 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -62.53 -41.44 98.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 0.2 OUTLIER -65.67 -71.24 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -40.68 -60.49 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.255 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -38.08 -60.68 0.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -40.71 -47.3 2.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.373 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 10' ' ' ASP . 40.4 t . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 9' ' ' VAL . 0.4 OUTLIER -39.79 -46.89 2.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.452 ' O ' HG13 ' A' ' 38' ' ' VAL . 12.3 t -148.74 114.88 5.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 108.268 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.67 132.0 43.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.966 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.452 ' CG1' HG13 ' A' ' 67' ' ' ILE . 93.9 t -90.58 120.86 40.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.597 HG21 ' CD2' ' A' ' 49' ' ' LEU . 2.1 mm -102.46 107.57 22.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -116.25 97.88 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.863 HG12 HD12 ' A' ' 43' ' ' LEU . 30.0 m -72.3 -45.2 61.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -56.01 159.97 3.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.351 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.411 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 0.3 OUTLIER -114.05 40.14 2.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.17 -46.07 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 p -70.27 59.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.403 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -86.66 -57.47 2.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.94 -55.7 26.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -49.63 -56.11 11.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.556 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -56.65 -42.09 78.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.89 ' CG ' HD22 ' A' ' 40' ' ' LEU . 1.5 mt-10 -62.57 -11.95 19.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 29' ' ' ARG . 4.8 t -86.89 -68.86 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.017 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.703 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -43.74 -31.28 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.71 ' HA2' HG11 ' A' ' 38' ' ' VAL . . . -73.28 -42.46 42.41 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 26' ' ' SER . 9.8 ptt180 -72.55 -24.45 61.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 0.73 . . . . 0.0 110.284 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -68.7 -40.6 79.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.972 ' HB ' HG21 ' A' ' 38' ' ' VAL . 63.9 t -65.82 -27.0 40.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.5 mtt-85 -74.52 -32.96 62.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 110.246 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -60.36 -17.93 46.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.592 1.182 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.7 OUTLIER -90.89 -11.01 40.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.15 29.6 8.87 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.468 ' HG2' ' CE1' ' A' ' 105' ' ' TYR . 93.8 mtp -115.4 133.65 55.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.77 . . . . 0.0 111.004 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.3 t -65.81 121.37 14.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.972 HG21 ' HB ' ' A' ' 31' ' ' VAL . 60.1 t -131.55 150.19 33.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -142.37 168.33 20.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.89 HD22 ' CG ' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -117.87 126.96 53.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.117 . . . . 0.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.1 mt -113.2 107.47 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.425 ' CZ ' HD23 ' A' ' 40' ' ' LEU . 49.2 m-85 -94.65 121.16 35.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.863 HD12 HG12 ' A' ' 16' ' ' VAL . 14.1 mt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 53.8 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.597 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.5 OUTLIER -69.97 -57.47 4.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.0 p -42.68 -43.4 3.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 110.007 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -48.42 -39.23 21.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.768 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -72.8 -41.94 64.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 94.4 mt -59.83 -39.8 86.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -61.09 -30.98 70.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.28 -29.04 24.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 52' ' ' ALA . 75.9 t -62.32 -39.37 83.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -59.92 2.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.017 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.403 ' CG ' ' N ' ' A' ' 59' ' ' GLY . 0.2 OUTLIER -56.75 -36.49 69.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.403 ' N ' ' CG ' ' A' ' 58' ' ' ARG . . . -64.92 -32.22 83.5 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 122.83 -31.51 4.74 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.734 ' CB ' HG13 ' A' ' 56' ' ' VAL . 1.0 OUTLIER -39.41 110.63 0.63 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.51 0.771 . . . . 0.0 109.965 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.417 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.2 Cg_endo -74.99 -37.37 2.06 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.554 1.818 . . . . 0.0 111.005 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.462 ' CD1' HG12 ' A' ' 81' ' ' ILE . 11.4 m-30 -114.28 151.17 33.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.733 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -144.65 119.28 9.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.411 HG21 HG11 ' A' ' 27' ' ' VAL . 9.3 mt -94.93 131.65 41.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.412 ' CG2' HD11 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -99.17 135.24 35.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.703 HD11 HG11 ' A' ' 27' ' ' VAL . 3.7 mm -128.62 154.84 40.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.54 HG22 ' CD2' ' A' ' 71' ' ' HIS . 1.6 t -174.92 159.56 2.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.378 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.426 ' O ' ' CB ' ' A' ' 72' ' ' GLN . 0.0 OUTLIER -38.99 -65.31 0.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.14 -57.46 5.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.54 ' CD2' HG22 ' A' ' 68' ' ' THR . 15.0 m-70 -43.29 -29.62 0.43 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 109.602 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.426 ' CB ' ' O ' ' A' ' 69' ' ' GLN . 8.2 tt0 -66.36 -49.59 66.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.336 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 12.4 mt -60.35 -58.08 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -69.82 -9.83 56.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.622 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 71' ' ' HIS . 2.9 mtp180 50.47 41.37 25.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.457 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 34.5 p -132.41 145.24 51.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.978 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.417 ' HB3' HD13 ' A' ' 67' ' ' ILE . 1.6 p -122.65 175.49 6.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 108.287 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 55.3 m -115.06 113.05 23.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.379 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.565 HG11 HD21 ' A' ' 100' ' ' LEU . 60.9 t -90.2 119.63 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -122.62 114.09 20.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.462 HG12 ' CD1' ' A' ' 63' ' ' PHE . 36.2 mt -78.46 148.81 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.417 ' N ' ' O ' ' A' ' 62' ' ' PRO . 7.5 mmt -114.39 -21.34 10.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -103.4 150.06 24.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.5 -161.39 50.86 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.463 1.102 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.749 HG23 ' HD2' ' A' ' 86' ' ' PRO . 2.5 m -51.02 146.58 10.38 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.518 0.775 . . . . 0.0 110.428 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.749 ' HD2' HG23 ' A' ' 85' ' ' THR . 18.2 Cg_endo -75.01 95.37 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.489 1.783 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -110.61 114.78 28.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.312 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -113.49 109.81 19.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.29 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -93.39 115.65 28.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.606 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 61.7 mtt180 -102.92 126.45 50.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 62.1 98.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.421 ' CE ' ' HB3' ' A' ' 96' ' ' ASP . 10.3 mmm -142.33 137.46 15.62 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 92' ' ' MET . 18.1 Cg_endo -75.03 138.38 22.88 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.452 1.764 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.443 ' CG ' HG23 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -37.92 -62.44 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -39.39 -60.58 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 99' ' ' VAL . 0.9 OUTLIER -52.87 -58.03 8.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -46.26 -48.86 17.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 34.9 mmt -57.87 -26.89 62.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' A' ' 96' ' ' ASP . 0.4 OUTLIER -86.89 -45.65 16.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.565 HD21 HG11 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -61.48 -27.74 68.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.502 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.7 OUTLIER -85.3 -49.48 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.502 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -62.32 -33.8 75.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.419 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 2.2 mmm180 -73.32 -66.58 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -46.67 -48.05 20.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.468 ' CE1' ' HG2' ' A' ' 36' ' ' MET . 34.5 t80 -50.09 -54.83 17.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -43.63 -52.61 6.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 87.1 t . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.64 -44.16 2.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.641 ' O ' HG13 ' A' ' 38' ' ' VAL . 4.9 t -149.21 103.38 3.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 108.313 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 m -89.49 136.17 33.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.996 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.432 HG21 ' CA ' ' A' ' 28' ' ' GLY . 94.9 t -94.45 121.14 44.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.704 HG21 ' CD2' ' A' ' 49' ' ' LEU . 3.7 mm -100.49 116.07 43.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -129.55 97.96 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.935 HG12 HD12 ' A' ' 43' ' ' LEU . 15.9 m -78.4 63.7 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.422 1.076 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.5 m120 168.62 178.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -114.72 -36.54 4.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.4 -44.96 2.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.473 HG21 ' O ' ' A' ' 68' ' ' THR . 1.5 p -93.94 60.1 2.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.376 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.11 -38.67 14.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -79.87 -57.82 3.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.58 ' CE2' ' HA ' ' A' ' 72' ' ' GLN . 2.2 t80 -44.85 -43.44 8.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.403 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -73.83 -34.96 64.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.77 -15.13 18.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 29' ' ' ARG . 5.7 t -89.54 -69.03 0.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.001 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.642 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -39.56 -32.25 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.254 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.575 ' HA2' HG11 ' A' ' 38' ' ' VAL . . . -76.95 -47.77 9.12 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 0.0 111.054 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 26' ' ' SER . 0.9 OUTLIER -67.86 -21.71 65.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 110.312 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -69.34 -36.66 77.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.349 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.959 ' HB ' HG21 ' A' ' 38' ' ' VAL . 75.8 t -74.54 -26.87 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.167 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.2 mtm180 -74.69 -31.98 62.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.155 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -61.45 -16.91 51.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.552 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.8 OUTLIER -91.68 -10.06 41.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.58 26.57 13.1 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.5 ' HB2' HG12 ' A' ' 31' ' ' VAL . 95.1 mtp -111.27 134.81 52.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.77 . . . . 0.0 110.981 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 49.0 t -65.71 127.01 26.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.959 HG21 ' HB ' ' A' ' 31' ' ' VAL . 96.7 t -136.44 150.35 27.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -140.18 167.94 20.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.72 124.32 48.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.4 mt -109.61 107.32 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.264 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -93.07 126.58 38.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.935 HD12 HG12 ' A' ' 16' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.704 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.7 OUTLIER -52.99 -59.08 4.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 53' ' ' LEU . 0.6 OUTLIER -44.61 -52.87 7.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.974 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -42.62 -33.91 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.582 1.176 . . . . 0.0 110.335 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.691 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -82.12 -42.08 19.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.457 ' HG ' HD22 ' A' ' 49' ' ' LEU . 62.7 mt -58.17 -52.88 63.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -48.96 -29.18 4.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -85.17 -35.27 21.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.093 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 52' ' ' ALA . 71.8 t -57.86 -47.0 87.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.06 -64.06 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.429 ' CG ' ' N ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -50.96 -38.07 48.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.274 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.429 ' N ' ' CG ' ' A' ' 58' ' ' ARG . . . -62.4 -31.66 80.23 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.461 1.101 . . . . 0.0 110.971 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.22 -23.17 9.97 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.682 ' CB ' HG13 ' A' ' 56' ' ' VAL . 0.4 OUTLIER -39.21 116.75 1.06 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.556 0.798 . . . . 0.0 110.01 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.4 Cg_endo -75.0 -46.52 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.419 1.747 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.416 ' N ' ' CD1' ' A' ' 63' ' ' PHE . 4.5 m-30 -116.25 150.44 37.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.607 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -141.86 128.22 19.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.108 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.524 HG23 ' HB2' ' A' ' 77' ' ' CYS . 21.0 mt -96.48 137.47 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.503 ' CG2' HD11 ' A' ' 49' ' ' LEU . 0.5 OUTLIER -102.8 129.0 55.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.642 HD11 HG11 ' A' ' 27' ' ' VAL . 4.1 mm -126.52 158.37 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.685 HG23 ' N ' ' A' ' 69' ' ' GLN . 9.7 t -172.88 -147.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 110.408 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.685 ' N ' HG23 ' A' ' 68' ' ' THR . 0.6 OUTLIER -86.39 -63.96 1.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.49 ' HA ' HD12 ' A' ' 73' ' ' ILE . 1.2 tp60 -51.66 -56.63 12.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.453 ' CD2' HG22 ' A' ' 68' ' ' THR . 24.0 m-70 -41.35 -32.79 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.585 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.58 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 10.2 tt0 -64.47 -50.79 66.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.49 HD12 ' HA ' ' A' ' 70' ' ' GLN . 6.8 mt -62.34 -63.91 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 44.3 m80 -58.38 -19.3 34.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.608 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 60.87 37.92 18.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.257 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.418 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 1.3 p -131.48 143.76 50.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.524 ' HB2' HG23 ' A' ' 65' ' ' ILE . 1.9 p -122.82 172.17 8.65 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 108.295 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.782 HG23 ' O ' ' A' ' 89' ' ' HIS . 13.0 m -112.87 115.57 28.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 110.361 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 80.5 t -90.2 116.07 30.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -111.99 125.42 54.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.69 HG23 ' CD2' ' A' ' 83' ' ' PHE . 16.5 mt -89.38 146.3 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 62' ' ' PRO . 9.8 mmt -117.45 -30.82 5.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.69 ' CD2' HG23 ' A' ' 81' ' ' ILE . 4.9 p90 -67.07 -179.16 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.964 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.478 ' N ' ' CD1' ' A' ' 83' ' ' PHE . . . -38.53 159.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.135 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 34.0 m 57.59 112.45 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.773 . . . . 0.0 110.387 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 114.18 3.97 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.786 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.536 ' CB ' HD12 ' A' ' 81' ' ' ILE . 3.4 mm-40 -128.16 126.99 42.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -132.88 114.99 14.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 110.287 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.782 ' O ' HG23 ' A' ' 78' ' ' THR . 18.9 m-70 -106.16 125.59 51.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.574 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.1 mtp85 -108.69 124.67 50.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 26.4 t30 59.94 97.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.412 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 16.4 mmm -135.73 140.57 34.1 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 92' ' ' MET . 18.3 Cg_endo -74.99 136.36 20.31 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.525 1.803 . . . . 0.0 110.96 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.609 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 0.0 OUTLIER -38.25 -65.81 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 98' ' ' MET . . . -40.11 -71.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -46.16 -41.93 13.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.265 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 94' ' ' GLN . . . -56.86 -41.35 77.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 95' ' ' ALA . 32.0 mmt -65.43 -24.76 67.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 111.038 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.415 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.4 OUTLIER -86.52 -46.07 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.411 1.07 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.401 HD11 ' CD2' ' A' ' 89' ' ' HIS . 0.1 OUTLIER -61.69 -28.18 69.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.484 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.8 OUTLIER -85.24 -48.22 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.484 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -62.4 -30.81 71.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.415 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 6.5 mmm180 -76.3 -67.0 0.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.259 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -43.01 -59.1 2.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -40.13 -61.99 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -39.6 -55.33 1.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.241 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 10' ' ' ASP . 17.8 t . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -40.55 -51.81 2.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.287 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.608 ' O ' HG13 ' A' ' 38' ' ' VAL . 5.7 t -140.0 104.32 4.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 108.302 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.72 130.48 36.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.023 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.443 ' CG1' HG13 ' A' ' 67' ' ' ILE . 58.7 t -90.98 127.8 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.7 HG21 HD23 ' A' ' 49' ' ' LEU . 3.5 mm -106.99 114.76 46.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.526 HG22 ' O ' ' A' ' 17' ' ' ASN . 0.8 OUTLIER -125.71 101.31 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.611 HG12 HD12 ' A' ' 43' ' ' LEU . 26.8 m -75.55 -27.97 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.526 ' O ' HG22 ' A' ' 15' ' ' VAL . 0.4 OUTLIER -84.15 135.87 34.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -92.55 26.23 2.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.245 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -116.03 -39.67 3.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 110.329 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.7 p -83.25 57.39 3.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.433 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.469 ' HE3' ' CZ ' ' A' ' 42' ' ' PHE . 4.1 tttt -79.43 -56.24 4.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.38 -51.57 59.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.629 ' CE1' HG23 ' A' ' 67' ' ' ILE . 1.9 t80 -49.08 -44.13 41.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.564 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -75.05 -36.88 61.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.68 -16.17 9.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.597 1.186 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' ARG . 8.6 t -87.93 -68.43 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.016 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.829 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -39.55 -33.63 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.786 ' HA2' HG11 ' A' ' 38' ' ' VAL . . . -74.38 -48.53 13.94 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.488 1.117 . . . . 0.0 110.941 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 26' ' ' SER . 3.0 ptt180 -67.09 -28.97 68.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 0.768 . . . . 0.0 110.303 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -61.08 -39.61 90.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.854 ' HB ' HG21 ' A' ' 38' ' ' VAL . 74.6 t -72.26 -26.89 25.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -74.02 -32.21 63.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.296 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -60.25 -17.3 40.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 31' ' ' VAL . 1.1 mt -91.83 -10.92 38.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.37 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.74 25.76 12.83 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.126 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.537 ' O ' HG23 ' A' ' 38' ' ' VAL . 97.0 mtp -109.49 135.72 50.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 0.766 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.9 t -65.74 121.98 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.854 HG21 ' HB ' ' A' ' 31' ' ' VAL . 36.6 t -129.07 148.7 33.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.44 174.84 10.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.508 HD23 ' CZ ' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -129.64 121.57 27.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.287 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 34.9 mt -107.92 102.1 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.508 ' CZ ' HD23 ' A' ' 40' ' ' LEU . 45.8 m-85 -86.88 132.49 33.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.611 HD12 HG12 ' A' ' 16' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.7 HD23 HG21 ' A' ' 14' ' ' ILE . 0.5 OUTLIER -43.75 -64.33 0.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -41.73 -50.77 4.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.022 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -42.08 -35.66 0.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.816 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -83.22 -40.78 19.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.273 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.477 ' HG ' HD22 ' A' ' 49' ' ' LEU . 36.3 mt -59.46 -42.81 92.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -59.31 -33.5 71.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -81.89 -30.33 31.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.861 HG11 ' HB2' ' A' ' 64' ' ' ALA . 64.7 t -60.38 -42.64 91.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.78 -61.3 1.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.435 ' CG ' ' N ' ' A' ' 59' ' ' GLY . 5.9 ptt180 -54.28 -37.81 65.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.435 ' N ' ' CG ' ' A' ' 58' ' ' ARG . . . -62.02 -32.0 80.67 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 61' ' ' SER . . . 117.94 -25.67 8.29 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.523 ' CB ' HG13 ' A' ' 56' ' ' VAL . 0.4 OUTLIER -38.85 116.41 0.97 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.462 0.742 . . . . 0.0 109.973 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.3 Cg_endo -75.04 -42.68 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.494 1.786 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.6 m-30 -117.04 146.98 42.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.861 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -141.58 122.87 14.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 19.8 mt -95.2 139.36 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.341 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.532 HG22 HD11 ' A' ' 49' ' ' LEU . 1.0 OUTLIER -103.99 127.55 58.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.829 HD11 HG11 ' A' ' 27' ' ' VAL . 5.0 mm -124.06 150.9 28.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.689 HG22 ' CD2' ' A' ' 71' ' ' HIS . 2.0 t -175.46 163.09 2.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.366 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.16 -54.83 18.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.577 ' HA ' HD12 ' A' ' 73' ' ' ILE . 20.1 tt0 -55.9 -30.13 61.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.342 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.689 ' CD2' HG22 ' A' ' 68' ' ' THR . 17.6 m-70 -77.73 -17.9 57.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.62 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.544 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 8.5 tt0 -78.73 -30.98 46.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.323 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.577 HD12 ' HA ' ' A' ' 70' ' ' GLN . 18.9 mt -69.79 -50.85 45.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -79.12 -15.36 58.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.135 . . . . 0.0 109.601 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 61.88 32.01 18.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 82.5 p -129.26 149.96 50.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 110.012 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.514 ' HB3' HD13 ' A' ' 67' ' ' ILE . 1.8 p -123.57 173.79 7.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 108.3 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.635 HG23 ' O ' ' A' ' 89' ' ' HIS . 8.8 m -111.02 120.73 43.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.094 . . . . 0.0 110.427 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.903 HG11 HD21 ' A' ' 100' ' ' LEU . 59.2 t -90.43 129.66 40.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -131.58 124.32 29.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.644 HD12 ' CB ' ' A' ' 87' ' ' GLN . 14.8 mt -91.44 148.24 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 62' ' ' PRO . 5.8 mmt -116.8 -29.24 6.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 111.051 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.642 ' CD2' HG23 ' A' ' 81' ' ' ILE . 2.5 p90 -70.85 178.44 3.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.48 ' N ' ' CD1' ' A' ' 83' ' ' PHE . . . -38.99 159.47 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.5 m 59.72 114.0 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.477 0.751 . . . . 0.0 110.377 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 129.43 12.33 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.487 1.782 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.644 ' CB ' HD12 ' A' ' 81' ' ' ILE . 3.6 mm100 -145.85 120.37 9.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -133.23 121.95 23.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.321 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.635 ' O ' HG23 ' A' ' 78' ' ' THR . 74.8 m-70 -118.22 122.5 43.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.612 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.7 mtm180 -94.02 137.99 32.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 41.36 85.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.487 ' SD ' ' CB ' ' A' ' 89' ' ' HIS . 5.7 mtp -112.86 142.91 28.06 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.416 ' HG2' ' CB ' ' A' ' 96' ' ' ASP . 18.4 Cg_endo -75.06 131.37 14.15 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.496 1.787 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.515 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 0.0 OUTLIER -37.71 -63.77 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -41.34 -70.07 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.416 ' CB ' ' HG2' ' A' ' 93' ' ' PRO . 49.7 t0 -47.38 -44.21 24.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 94' ' ' GLN . . . -55.88 -43.25 77.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.406 ' O ' HG12 ' A' ' 101' ' ' VAL . 32.6 mmt -64.7 -24.56 67.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.489 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.4 OUTLIER -86.47 -45.34 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.903 HD21 HG11 ' A' ' 79' ' ' VAL . 0.1 OUTLIER -60.76 -29.61 69.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.494 HG22 ' HE1' ' A' ' 36' ' ' MET . 0.8 OUTLIER -83.73 -47.38 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.468 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -64.09 -17.02 63.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.489 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 8.6 mmm180 -92.99 -63.14 1.25 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -49.62 -54.99 15.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -39.2 -52.94 1.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.956 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -48.82 -54.42 15.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.342 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.349 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 62.4 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -42.98 -45.97 5.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.65 ' O ' HG13 ' A' ' 38' ' ' VAL . 14.1 t -149.03 108.64 4.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 108.331 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.0 135.22 36.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.037 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.435 ' CG1' HG13 ' A' ' 67' ' ' ILE . 75.8 t -92.91 125.67 45.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.662 HG21 ' CD2' ' A' ' 49' ' ' LEU . 1.8 mm -105.57 109.23 27.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.1 p -117.84 101.84 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.667 HG12 HD12 ' A' ' 43' ' ' LEU . 30.4 m -75.51 -37.33 37.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.55 126.12 29.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tptp -85.68 49.46 1.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -142.12 -49.66 0.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.478 HG21 ' HB2' ' A' ' 72' ' ' GLN . 1.2 p -69.72 60.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.433 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -81.96 -68.38 0.7 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -47.83 -55.62 9.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.562 ' HE1' HG23 ' A' ' 67' ' ' ILE . 29.3 t80 -51.59 -62.04 1.87 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.576 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -52.18 -41.62 62.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.875 ' CG ' HD22 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -63.02 -11.64 20.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.353 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 29' ' ' ARG . 2.8 t -87.3 -68.47 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.004 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.622 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -47.93 -28.91 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.544 ' O ' HG11 ' A' ' 38' ' ' VAL . . . -75.22 -33.9 52.8 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.461 1.101 . . . . 0.0 111.03 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 26' ' ' SER . 12.3 ptt180 -81.87 -31.01 31.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 110.318 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -59.57 -31.54 69.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.968 ' HB ' HG21 ' A' ' 38' ' ' VAL . 94.3 t -76.04 -27.42 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -74.04 -31.99 63.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.267 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -60.56 -19.28 56.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.545 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.6 OUTLIER -89.1 -11.01 45.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.72 23.69 17.7 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.454 1.096 . . . . 0.0 111.001 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.479 ' HB2' HG12 ' A' ' 31' ' ' VAL . 96.3 mtp -107.33 133.3 52.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.757 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 19.7 t -65.68 117.47 6.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.968 HG21 ' HB ' ' A' ' 31' ' ' VAL . 61.3 t -129.72 148.14 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -140.4 167.91 21.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.875 HD22 ' CG ' ' A' ' 25' ' ' GLU . 0.8 OUTLIER -115.38 127.94 55.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.1 mt -113.84 108.81 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -93.32 132.7 37.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.667 HD12 HG12 ' A' ' 16' ' ' VAL . 11.9 mt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 63.0 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.662 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.9 OUTLIER -63.91 -58.93 5.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.274 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 53' ' ' LEU . 94.0 p -38.44 -54.2 1.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.997 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -39.77 -42.78 1.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.288 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.91 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -77.35 -42.63 35.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.488 ' HG ' HD22 ' A' ' 49' ' ' LEU . 45.3 mt -57.95 -32.58 67.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -66.01 -47.38 74.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.443 ' OD1' ' NH1' ' A' ' 58' ' ' ARG . 5.7 t70 -70.36 -20.07 63.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.91 HG23 ' O ' ' A' ' 52' ' ' ALA . 70.0 t -71.14 -40.67 75.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -50.67 8.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.994 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.443 ' NH1' ' OD1' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -64.23 -36.54 84.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.416 ' N ' ' HG2' ' A' ' 58' ' ' ARG . . . -66.66 -29.53 74.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.562 1.164 . . . . 0.0 111.031 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.35 -19.95 11.45 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.754 ' HB3' HG13 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -43.72 111.03 1.04 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.53 0.782 . . . . 0.0 109.978 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.427 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.3 Cg_endo -74.99 -37.5 2.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.536 1.808 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.456 ' CD1' HG12 ' A' ' 81' ' ' ILE . 9.9 m-30 -115.61 146.32 41.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.798 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -137.9 124.42 20.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.6 mt -101.52 133.89 43.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.501 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 0.8 OUTLIER -101.26 134.32 41.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.622 HD11 HG11 ' A' ' 27' ' ' VAL . 4.1 mm -127.82 153.82 37.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.524 HG23 ' N ' ' A' ' 69' ' ' GLN . 0.5 OUTLIER 178.42 175.04 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.389 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.524 ' N ' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -45.08 -64.56 0.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -50.85 -65.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.316 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.501 ' NE2' ' CG1' ' A' ' 66' ' ' VAL . 88.1 m-70 -39.2 -39.8 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.606 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.506 ' HA ' ' CZ ' ' A' ' 23' ' ' TYR . 4.1 tt0 -65.48 -51.83 57.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.339 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.4 mt -59.53 -52.95 54.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -73.05 -5.24 37.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.644 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.0 mmt-85 52.88 23.44 2.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 71' ' ' HIS . 54.1 p -122.82 139.45 54.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 110.044 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 2.7 p -116.18 172.12 7.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 108.27 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 29.4 m -108.13 114.71 28.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 110.411 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.555 HG11 HD21 ' A' ' 100' ' ' LEU . 59.2 t -89.9 129.18 41.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 61.1 m-20 -133.7 113.39 12.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.456 HG12 ' CD1' ' A' ' 63' ' ' PHE . 19.6 mt -79.13 149.96 5.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.427 ' N ' ' O ' ' A' ' 62' ' ' PRO . 10.3 mmt -114.46 -24.14 8.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -101.5 153.72 19.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 110.999 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 50.72 -166.86 0.52 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 84' ' ' GLY . 40.3 m -38.27 118.42 0.99 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 110.403 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 102.86 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.481 1.78 . . . . 0.0 110.972 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.423 ' OE1' ' CE1' ' A' ' 89' ' ' HIS . 2.6 mm-40 -109.91 110.73 21.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.352 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -97.5 100.69 12.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.423 ' CE1' ' OE1' ' A' ' 87' ' ' GLN . 73.5 m80 -91.83 114.72 27.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.582 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 29.8 mtt85 -93.79 138.39 32.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.331 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 48.39 88.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.422 ' CE ' ' OD1' ' A' ' 96' ' ' ASP . 10.1 mtp -121.97 138.3 28.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 92' ' ' MET . 18.3 Cg_endo -74.98 134.4 17.8 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.496 1.787 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.489 ' CG ' HG23 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -38.37 -63.04 0.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -38.4 -72.86 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.422 ' OD1' ' CE ' ' A' ' 92' ' ' MET . 8.5 t70 -44.77 -53.66 7.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.353 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 94' ' ' GLN . . . -47.58 -49.58 26.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 35.6 mmt -60.3 -24.84 65.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.963 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.424 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.5 OUTLIER -86.54 -47.72 16.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.555 HD21 HG11 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -60.23 -28.5 68.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.494 ' O ' ' CB ' ' A' ' 105' ' ' TYR . 0.8 OUTLIER -84.51 -49.11 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.493 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -63.08 -27.17 69.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.424 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 6.9 mmm180 -81.42 -65.05 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.416 ' ND2' ' O ' ' A' ' 100' ' ' LEU . 5.5 m-80 -49.48 -45.43 46.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.494 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 12.8 t80 -50.45 -52.88 34.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.951 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -51.58 -51.2 57.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.422 HG12 ' C ' ' A' ' 11' ' ' CYS . 55.2 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.16 -46.18 5.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.488 ' O ' HG13 ' A' ' 38' ' ' VAL . 34.8 t -144.0 107.55 4.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 108.249 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.98 127.03 40.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 109.996 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.472 HG21 ' CA ' ' A' ' 28' ' ' GLY . 89.8 t -86.8 121.23 37.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.736 HG21 ' CD2' ' A' ' 49' ' ' LEU . 2.6 mm -98.18 113.53 33.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.564 HG22 ' O ' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -128.73 95.92 2.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.1 m -65.75 -44.44 93.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.564 ' O ' HG22 ' A' ' 15' ' ' VAL . 2.2 t-20 -76.49 170.9 15.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.59 -29.02 8.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -50.65 -42.07 56.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.265 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.3 p -83.33 49.41 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.395 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -86.17 -50.54 6.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.252 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -75.94 -17.53 59.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.445 ' CE1' HG23 ' A' ' 67' ' ' ILE . 37.4 t80 -84.96 -63.94 1.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 111.044 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.709 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -51.81 -33.65 36.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.807 ' HG2' HD22 ' A' ' 40' ' ' LEU . 5.7 mt-10 -63.12 -12.19 25.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 29' ' ' ARG . 24.5 t -89.15 -68.95 0.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.989 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.628 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -46.75 -26.78 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.715 ' O ' HG11 ' A' ' 38' ' ' VAL . . . -75.19 -37.23 43.15 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.45 1.094 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.4 ptt-85 -81.88 -28.34 32.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 110.33 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -59.5 -34.98 73.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.886 ' HB ' HG21 ' A' ' 38' ' ' VAL . 74.7 t -74.65 -26.37 19.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 -74.67 -31.35 61.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -61.27 -15.44 35.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.6 OUTLIER -94.21 -11.77 29.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.65 30.36 7.67 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.135 . . . . 0.0 111.065 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.525 ' O ' HG23 ' A' ' 38' ' ' VAL . 95.6 mtp -114.67 136.2 53.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 0.779 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 49.7 t -66.39 120.63 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.886 HG21 ' HB ' ' A' ' 31' ' ' VAL . 35.9 t -128.85 152.5 37.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -146.47 167.48 23.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.807 HD22 ' HG2' ' A' ' 25' ' ' GLU . 1.5 mp -116.96 128.97 55.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.9 mt -113.4 102.89 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.448 ' CZ ' HD23 ' A' ' 40' ' ' LEU . 48.4 m-85 -93.31 114.69 27.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.1 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.736 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.8 OUTLIER -48.82 -58.83 4.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 53' ' ' LEU . 96.3 p -39.46 -55.04 1.86 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.004 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.3 -41.78 0.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 110.279 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.748 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -76.64 -43.02 39.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.445 ' HG ' HD22 ' A' ' 49' ' ' LEU . 51.2 mt -58.9 -28.89 66.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -70.81 -47.95 56.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -67.71 -23.3 65.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.824 HG11 ' HB2' ' A' ' 64' ' ' ALA . 36.7 t -62.68 -56.6 16.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.43 -60.9 2.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.0 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.421 ' HG2' ' N ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -52.24 -41.52 62.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.421 ' N ' ' HG2' ' A' ' 58' ' ' ARG . . . -64.59 -26.63 71.03 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.518 1.136 . . . . 0.0 110.972 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.88 -33.36 4.62 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.7 ' HB3' HG13 ' A' ' 56' ' ' VAL . 1.1 m -39.07 107.29 0.42 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.552 0.795 . . . . 0.0 109.985 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.429 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.3 Cg_endo -75.0 -34.75 3.58 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.48 1.779 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.571 ' CE1' HG12 ' A' ' 81' ' ' ILE . 15.6 m-30 -115.58 137.83 51.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.824 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -132.08 123.04 26.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.472 HG23 ' HB2' ' A' ' 77' ' ' CYS . 22.7 mt -95.41 134.33 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.527 HG22 HD11 ' A' ' 49' ' ' LEU . 0.5 OUTLIER -99.03 132.41 44.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.709 HG21 ' HB2' ' A' ' 24' ' ' ALA . 4.1 mm -128.89 149.37 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.721 HG22 ' CD2' ' A' ' 71' ' ' HIS . 5.2 t -174.49 155.71 2.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 110.376 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -38.52 -65.27 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.282 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.798 ' HA ' HD12 ' A' ' 73' ' ' ILE . 1.3 tp60 -44.06 -61.19 1.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.721 ' CD2' HG22 ' A' ' 68' ' ' THR . 17.6 m-70 -41.91 -55.18 3.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.608 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.437 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 3.9 tt0 -39.09 -45.22 1.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.26 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.798 HD12 ' HA ' ' A' ' 70' ' ' GLN . 16.6 mt -57.95 -54.78 27.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 39.2 m-70 -74.58 -2.91 28.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.634 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.482 ' N ' ' O ' ' A' ' 71' ' ' HIS . 0.0 OUTLIER 49.07 23.1 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.326 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.69 159.11 22.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.997 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.472 ' HB2' HG23 ' A' ' 65' ' ' ILE . 3.6 p -133.45 175.36 9.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 108.298 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.7 m -113.43 112.9 24.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 110.407 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 61.3 t -90.18 113.63 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -116.59 116.72 28.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.571 HG12 ' CE1' ' A' ' 63' ' ' PHE . 47.1 mt -79.52 149.67 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.429 ' N ' ' O ' ' A' ' 62' ' ' PRO . 9.6 mmt -114.64 -23.72 9.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.419 ' O ' ' CG2' ' A' ' 81' ' ' ILE . 0.5 OUTLIER -105.93 152.89 22.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.04 -171.74 34.84 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.762 HG23 ' HD2' ' A' ' 86' ' ' PRO . 2.5 m -40.49 146.56 0.43 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 110.407 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.762 ' HD2' HG23 ' A' ' 85' ' ' THR . 18.3 Cg_endo -75.03 91.05 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.481 1.779 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.61 114.47 28.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.329 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -113.83 113.45 24.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.31 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -100.37 119.45 38.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.61 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.7 mtt-85 -107.44 134.76 50.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 57.74 90.41 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.418 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 22.1 mmm -133.7 136.48 26.78 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 92' ' ' MET . 18.3 Cg_endo -75.01 144.39 30.13 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.449 1.763 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.499 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 0.0 OUTLIER -37.97 -70.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 98' ' ' MET . . . -37.81 -70.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -42.28 -46.15 4.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 94' ' ' GLN . . . -60.0 -43.26 95.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -66.21 -28.96 69.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -82.57 -44.66 19.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.35 -30.52 71.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.8 OUTLIER -83.87 -48.04 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.475 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -61.42 -34.66 75.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.3 mmm180 -73.9 -59.47 2.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 110.326 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -54.3 -49.63 69.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.441 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 17.2 t80 -46.32 -53.22 11.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -42.36 -54.78 3.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 110.329 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.27 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.417 ' CG1' ' N ' ' A' ' 10' ' ' ASP . 9.7 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.417 ' N ' ' CG1' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -91.0 -43.86 9.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.564 ' O ' HG13 ' A' ' 38' ' ' VAL . 0.6 OUTLIER -142.03 111.99 6.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 108.247 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.46 131.21 36.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.032 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.554 HG21 ' CA ' ' A' ' 28' ' ' GLY . 44.9 t -92.29 124.94 44.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.679 HG21 ' CD2' ' A' ' 49' ' ' LEU . 2.3 mm -110.25 111.02 34.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.61 106.63 20.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.017 HG12 HD12 ' A' ' 43' ' ' LEU . 9.6 m -91.64 -32.52 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.656 ' OD1' HG23 ' A' ' 20' ' ' THR . 12.8 t-20 -51.32 164.41 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.459 ' N ' ' CG ' ' A' ' 17' ' ' ASN . 8.4 tptt -69.72 -81.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -94.87 100.03 11.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.656 HG23 ' OD1' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -152.62 23.51 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.409 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 42' ' ' PHE . 8.0 ttmt -70.94 -62.87 1.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -44.4 -39.0 4.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.673 ' HE2' HD12 ' A' ' 67' ' ' ILE . 44.7 t80 -75.02 -65.18 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.22 -49.0 23.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.831 ' HG2' HD22 ' A' ' 40' ' ' LEU . 53.2 mt-10 -50.9 -21.29 1.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 29' ' ' ARG . 5.0 t -83.45 -68.22 0.73 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.036 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.823 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -49.6 -26.96 2.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.647 ' O ' HG11 ' A' ' 38' ' ' VAL . . . -75.58 -26.66 64.86 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -91.07 -35.14 14.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 110.312 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.87 -39.15 24.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.969 ' HB ' HG21 ' A' ' 38' ' ' VAL . 60.6 t -72.38 -29.53 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 29' ' ' ARG . 30.8 mtp180 -71.88 -31.77 66.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.336 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -59.88 -19.41 51.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.7 OUTLIER -89.84 -11.62 41.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.11 25.57 12.57 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.125 . . . . 0.0 110.995 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.459 ' HB2' HG12 ' A' ' 31' ' ' VAL . 89.8 mtp -108.74 136.69 47.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 0.772 . . . . 0.0 110.991 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.6 t -66.62 126.85 26.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.969 HG21 ' HB ' ' A' ' 31' ' ' VAL . 96.4 t -136.59 149.19 26.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -135.34 168.09 19.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.831 HD22 ' HG2' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -121.08 126.22 49.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.5 mt -114.48 114.05 45.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.562 ' CZ ' ' HB2' ' A' ' 21' ' ' LYS . 47.7 m-85 -103.16 121.33 42.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 1.017 HD12 HG12 ' A' ' 16' ' ' VAL . 80.5 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.34 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.679 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.9 OUTLIER -40.47 -57.81 1.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 53' ' ' LEU . 94.6 p -39.24 -55.29 1.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.015 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -39.14 -39.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . -80.33 -43.32 21.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.507 ' HG ' HD22 ' A' ' 49' ' ' LEU . 68.2 mt -57.92 -32.68 67.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -67.52 -39.17 85.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.85 -26.16 62.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.686 HG13 ' HB3' ' A' ' 61' ' ' SER . 15.5 t -64.3 -72.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -45.06 -63.92 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.01 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.425 ' HG2' ' N ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER -52.92 -37.96 61.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.425 ' N ' ' HG2' ' A' ' 58' ' ' ARG . . . -66.25 -22.86 71.27 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.491 1.12 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 114.44 -33.53 5.35 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.686 ' HB3' HG13 ' A' ' 56' ' ' VAL . 0.4 OUTLIER -39.47 112.87 0.8 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.543 0.79 . . . . 0.0 110.029 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -39.34 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.561 1.821 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.568 ' CE1' HG12 ' A' ' 81' ' ' ILE . 14.4 m-30 -113.76 147.05 38.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.123 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.531 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -137.05 125.76 23.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.355 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.6 mt -95.33 129.85 44.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.577 HG22 HD11 ' A' ' 49' ' ' LEU . 1.2 t -95.31 123.18 47.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.823 HD11 HG11 ' A' ' 27' ' ' VAL . 6.4 mm -122.55 157.46 27.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.802 HG22 ' CD2' ' A' ' 71' ' ' HIS . 11.0 t -174.09 -158.42 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.419 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.486 ' N ' HG23 ' A' ' 68' ' ' THR . 2.7 tt0 -73.66 -63.44 1.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' A' ' 73' ' ' ILE . 0.0 OUTLIER -54.02 -54.43 39.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.278 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.802 ' CD2' HG22 ' A' ' 68' ' ' THR . 36.9 m-70 -43.94 -32.39 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.639 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.439 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 1.4 tt0 -74.71 -44.21 51.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.264 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 70' ' ' GLN . 64.5 mt -61.19 -47.22 94.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -85.47 -10.1 56.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.61 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 71' ' ' HIS . 0.0 OUTLIER 58.04 30.67 19.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 57.5 p -123.91 137.46 54.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.031 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.604 ' HB3' HD13 ' A' ' 67' ' ' ILE . 1.5 p -120.05 174.3 6.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 108.281 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.841 HG23 ' O ' ' A' ' 89' ' ' HIS . 7.0 m -113.25 116.78 30.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 110.437 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.0 t -90.41 119.59 37.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -117.64 120.73 38.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.568 HG12 ' CE1' ' A' ' 63' ' ' PHE . 37.1 mt -83.45 143.09 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.0 mmt -107.01 -28.76 9.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.593 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -95.89 149.78 21.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.958 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.04 -169.64 38.79 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.732 HG23 ' HD2' ' A' ' 86' ' ' PRO . 2.4 m -43.17 146.5 0.82 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 110.406 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.732 ' HD2' HG23 ' A' ' 85' ' ' THR . 18.3 Cg_endo -75.04 99.12 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.529 1.805 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -112.68 115.95 29.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -112.7 107.12 15.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.841 ' O ' HG23 ' A' ' 78' ' ' THR . 63.1 m-70 -94.47 110.57 22.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.639 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 45.6 mtp180 -101.56 135.58 42.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.8 m120 58.57 92.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 11.2 mmm -141.66 137.21 16.07 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.542 1.152 . . . . 0.0 110.939 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 148.6 35.53 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.476 1.777 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -49.8 -65.88 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.348 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -39.08 -42.41 0.91 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 99' ' ' VAL . 0.4 OUTLIER -71.08 -56.61 5.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -49.38 -28.36 4.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.457 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 29.7 mmt -73.81 -30.18 62.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.445 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.3 OUTLIER -80.92 -41.77 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.42 ' O ' ' ND2' ' A' ' 104' ' ' ASN . 0.1 OUTLIER -65.07 -28.67 69.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.501 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.6 OUTLIER -88.63 -49.85 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.501 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -58.76 -36.5 74.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.445 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 2.2 mmt85 -73.19 -71.3 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 100' ' ' LEU . 7.0 m-80 -41.88 -57.62 2.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.481 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 13.6 t80 -38.13 -58.12 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -42.39 -56.85 2.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.8 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.84 -45.8 71.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.348 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 t -141.74 107.61 5.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 108.266 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.11 125.21 36.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 110.039 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.424 ' CG1' HG13 ' A' ' 67' ' ' ILE . 62.5 t -88.62 115.36 28.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.717 HG21 ' CD2' ' A' ' 49' ' ' LEU . 3.9 mm -93.89 112.11 26.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 17' ' ' ASN . 0.9 OUTLIER -126.07 95.8 3.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.667 HG12 HD12 ' A' ' 43' ' ' LEU . 5.9 m -72.42 -29.91 32.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.499 ' O ' ' CG2' ' A' ' 15' ' ' VAL . 5.8 m120 -95.26 122.14 37.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -66.09 -40.26 90.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.5 -41.75 1.5 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.344 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.427 ' CG2' ' HB2' ' A' ' 72' ' ' GLN . 1.3 p -88.61 65.09 7.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.388 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -90.52 -54.56 3.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -65.79 -56.24 12.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.498 ' CE2' ' HA ' ' A' ' 72' ' ' GLN . 4.7 t80 -42.39 -49.61 5.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.701 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -70.27 -41.68 73.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.15 -21.61 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 29' ' ' ARG . 5.6 t -84.51 -67.79 0.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 109.978 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.658 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -39.14 -32.76 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.815 ' HA2' HG11 ' A' ' 38' ' ' VAL . . . -73.82 -49.64 13.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 26' ' ' SER . 2.1 ptm180 -64.82 -26.74 68.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -63.69 -42.72 97.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.269 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.711 ' HB ' HG21 ' A' ' 38' ' ' VAL . 60.1 t -70.5 -25.99 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 0.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.406 ' HG2' HG23 ' A' ' 38' ' ' VAL . 7.7 mtm180 -74.99 -34.83 62.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -59.22 -17.98 32.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.582 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.9 OUTLIER -90.49 -10.55 43.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.15 31.37 8.09 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.529 1.143 . . . . 0.0 110.966 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.605 ' SD ' ' CE1' ' A' ' 105' ' ' TYR . 32.4 mmm -116.61 139.03 50.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 0.734 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.2 t -67.34 128.37 30.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.815 HG11 ' HA2' ' A' ' 28' ' ' GLY . 23.6 t -131.72 148.09 32.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -139.02 167.53 21.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -123.62 125.37 44.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.0 mt -110.85 106.06 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -92.1 116.0 28.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.667 HD12 HG12 ' A' ' 16' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 55.4 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.717 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.4 OUTLIER -57.3 -59.71 4.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 53' ' ' LEU . 78.9 p -45.52 -56.14 5.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.94 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -43.84 -36.56 2.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.268 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.934 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -79.11 -37.88 37.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.538 ' HG ' HD22 ' A' ' 49' ' ' LEU . 33.4 mt -59.16 -29.7 67.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -71.89 -55.11 8.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.429 ' HA ' ' CG ' ' A' ' 58' ' ' ARG . 2.0 t70 -59.63 -23.45 63.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.934 HG23 ' O ' ' A' ' 52' ' ' ALA . 41.6 t -64.59 -65.03 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.8 t -66.53 -55.56 14.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.021 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.445 ' CD ' ' C ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -51.67 -26.05 8.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.428 ' N ' ' HG3' ' A' ' 58' ' ' ARG . . . -83.43 -32.12 25.97 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 129.9 -29.31 3.76 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.549 ' HB2' HG13 ' A' ' 56' ' ' VAL . 73.9 m -38.79 113.35 0.76 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 0.78 . . . . 0.0 110.04 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.2 Cg_endo -75.02 -45.66 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.78 . . . . 0.0 110.968 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.493 ' CE1' HG12 ' A' ' 81' ' ' ILE . 11.8 m-30 -113.95 143.82 44.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.624 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -140.22 124.67 17.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 49.5 mt -95.72 142.26 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.553 ' CG2' HD11 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -104.8 128.5 58.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.701 HG21 ' HB2' ' A' ' 24' ' ' ALA . 4.3 mm -125.49 147.92 30.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.337 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.709 HG22 ' CD2' ' A' ' 71' ' ' HIS . 5.4 t -173.77 160.56 3.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.374 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.86 -60.58 2.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.663 ' HA ' HD12 ' A' ' 73' ' ' ILE . 6.1 tt0 -46.33 -47.84 18.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.333 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.709 ' CD2' HG22 ' A' ' 68' ' ' THR . 19.0 m-70 -59.3 -39.82 84.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.598 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.498 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 12.0 tt0 -56.16 -21.0 20.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.663 HD12 ' HA ' ' A' ' 70' ' ' GLN . 18.3 mt -87.19 -49.76 14.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -76.13 -2.88 33.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.612 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 71' ' ' HIS . 3.1 mmm180 46.09 38.08 4.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.294 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.2 p -132.83 159.64 39.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.167 . . . . 0.0 110.008 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.543 ' SG ' HG21 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -129.4 175.63 8.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 108.319 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.621 HG23 ' HA ' ' A' ' 90' ' ' ARG . 53.3 m -121.11 109.55 15.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.413 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.515 HG11 HD21 ' A' ' 100' ' ' LEU . 88.3 t -89.64 126.84 42.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 61.5 m-20 -130.4 114.97 16.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.493 HG12 ' CE1' ' A' ' 63' ' ' PHE . 55.5 mt -75.05 150.34 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 62' ' ' PRO . 4.7 mmt -125.91 0.65 7.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.96 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.42 ' O ' ' O ' ' A' ' 84' ' ' GLY . 0.3 OUTLIER -131.02 141.69 50.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 111.009 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' A' ' 85' ' ' THR . . . 52.76 106.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.437 ' O ' ' O ' ' A' ' 84' ' ' GLY . 22.1 m 56.23 113.19 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.485 0.756 . . . . 0.0 110.421 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 92.83 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.427 1.751 . . . . 0.0 111.045 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -107.89 152.6 24.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.345 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -136.92 107.21 6.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 51.7 m80 -95.99 114.52 26.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.583 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.621 ' HA ' HG23 ' A' ' 78' ' ' THR . 17.8 mtm180 -108.59 145.95 34.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.334 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 42.8 m-20 58.53 80.85 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 17.2 mmm -134.5 134.38 22.35 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 137.33 21.62 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.447 1.762 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -38.77 -64.49 0.44 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.446 1.092 . . . . 0.0 110.271 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -37.74 -56.7 1.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -60.79 -50.68 72.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.316 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -50.47 -37.58 39.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.411 ' O ' HG12 ' A' ' 101' ' ' VAL . 30.5 mmt -69.06 -26.5 64.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.496 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.4 OUTLIER -86.2 -43.56 16.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.246 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.515 HD21 HG11 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -62.69 -28.04 69.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.476 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.8 OUTLIER -85.66 -47.83 16.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.476 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -63.18 -34.61 78.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 5.4 mmm-85 -70.2 -68.81 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -44.11 -51.02 8.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.605 ' CE1' ' SD ' ' A' ' 36' ' ' MET . 9.2 t80 -47.7 -55.39 9.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -44.07 -60.43 1.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.272 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.7 t . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.76 -46.4 10.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 8.5 t -148.83 114.52 5.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 108.273 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.2 m -96.55 128.15 43.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.483 HG21 ' CA ' ' A' ' 28' ' ' GLY . 84.7 t -86.73 120.49 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.685 HG21 ' CD2' ' A' ' 49' ' ' LEU . 3.1 mm -97.22 112.93 30.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.257 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.418 ' CG2' ' O ' ' A' ' 17' ' ' ASN . 0.9 OUTLIER -125.66 102.86 10.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.127 . . . . 0.0 109.268 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.722 HG12 HD12 ' A' ' 43' ' ' LEU . 10.2 m -80.28 -28.28 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.418 ' O ' ' CG2' ' A' ' 15' ' ' VAL . 15.3 m120 -100.15 121.83 42.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -62.75 -40.78 98.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 0.0 109.328 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.93 -43.32 2.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.495 HG22 ' CG ' ' A' ' 72' ' ' GLN . 1.2 p -82.97 55.86 3.25 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.521 1.138 . . . . 0.0 110.434 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.515 ' O ' ' CG ' ' A' ' 25' ' ' GLU . 14.5 tttt -89.62 -67.48 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.92 -39.59 54.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -67.17 -64.41 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.951 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.986 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -52.38 -35.76 52.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.576 ' HG2' HD21 ' A' ' 40' ' ' LEU . 5.4 mm-40 -61.75 -21.54 64.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 29' ' ' ARG . 8.3 t -80.78 -68.01 0.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.042 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.602 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -44.43 -32.69 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.641 ' HA2' HG11 ' A' ' 38' ' ' VAL . . . -73.7 -39.23 49.0 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 26' ' ' SER . 4.6 ptm180 -78.52 -22.01 47.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 0.764 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -68.82 -37.29 79.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.762 ' HB ' HG21 ' A' ' 38' ' ' VAL . 68.4 t -72.46 -20.57 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.6 mtp180 -80.58 -32.11 36.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -59.72 -17.35 34.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.38 -12.53 34.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.3 4.85 54.94 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.538 ' HB2' HG12 ' A' ' 31' ' ' VAL . 56.6 mtp -88.42 134.45 33.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 0.791 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.5 t -65.69 128.36 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.762 HG21 ' HB ' ' A' ' 31' ' ' VAL . 36.4 t -130.54 150.18 34.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -138.36 168.69 19.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.576 HD21 ' HG2' ' A' ' 25' ' ' GLU . 1.8 mp -125.64 127.95 47.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 20.6 mt -115.8 99.97 9.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -89.36 115.71 27.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.722 HD12 HG12 ' A' ' 16' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.0 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.685 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.6 OUTLIER -65.77 -53.33 41.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 96.7 p -47.16 -46.64 23.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.023 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -45.99 -35.51 4.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.331 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.959 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -79.67 -40.02 30.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 53' ' ' LEU . 44.9 mt -58.94 -39.44 81.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -63.0 -38.18 90.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.285 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.33 -27.06 35.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.959 HG23 ' O ' ' A' ' 52' ' ' ALA . 52.5 t -60.3 -44.0 94.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 60' ' ' GLY . 0.0 OUTLIER -66.7 -66.46 0.55 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 110.063 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.42 ' HB2' ' NH1' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -46.28 -36.37 6.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.404 ' N ' ' CG ' ' A' ' 58' ' ' ARG . . . -62.94 -31.98 82.43 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 57' ' ' SER . . . 118.79 -30.53 5.88 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.602 ' HB2' HG13 ' A' ' 56' ' ' VAL . 0.7 OUTLIER -38.54 110.28 0.55 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 110.04 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.2 Cg_endo -75.0 -34.84 3.51 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.492 1.785 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 15.8 m-30 -115.99 149.13 39.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 111.059 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.521 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -145.77 126.75 14.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.471 HG23 ' HB3' ' A' ' 77' ' ' CYS . 27.5 mt -100.43 139.56 21.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.611 ' CG2' HD11 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -100.33 132.38 46.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.986 HG21 ' HB2' ' A' ' 24' ' ' ALA . 6.4 mm -129.08 147.38 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.548 HG23 ' N ' ' A' ' 69' ' ' GLN . 0.5 OUTLIER -175.93 176.11 1.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.386 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.548 ' N ' HG23 ' A' ' 68' ' ' THR . 0.5 OUTLIER -49.73 -65.43 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.451 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.9 mm100 -49.06 -66.78 0.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.449 ' O ' ' N ' ' A' ' 75' ' ' ARG . 83.4 m-70 -37.43 -35.87 0.14 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.588 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.495 ' CG ' HG22 ' A' ' 20' ' ' THR . 8.4 tt0 -62.46 -55.47 27.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 70' ' ' GLN . 6.0 mt -57.3 -59.59 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -62.52 -17.66 60.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.621 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 71' ' ' HIS . 5.8 mtp180 58.91 31.46 21.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.4 p -124.71 140.36 53.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.989 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.471 ' HB3' HG23 ' A' ' 65' ' ' ILE . 3.1 m -117.15 176.6 5.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 108.305 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.6 m -117.7 118.61 32.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.418 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.83 HG11 HD21 ' A' ' 100' ' ' LEU . 60.0 t -89.63 107.89 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -111.92 110.94 21.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 58.1 mt -79.28 149.66 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 62' ' ' PRO . 7.6 mmt -113.75 -24.83 8.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.57 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -98.39 151.07 20.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 67.51 -157.54 51.79 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.534 1.146 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.732 HG23 ' HD2' ' A' ' 86' ' ' PRO . 2.6 m -57.42 146.52 63.2 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 110.445 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.732 ' HD2' HG23 ' A' ' 85' ' ' THR . 18.2 Cg_endo -75.02 99.07 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.528 1.804 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -114.7 109.4 18.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.262 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -108.58 97.69 7.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -83.3 109.94 17.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.596 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.7 mtp-105 -94.06 132.56 38.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.6 t30 66.96 89.24 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.41 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 39.0 mtp -131.74 131.41 22.72 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 94' ' ' GLN . 18.3 Cg_endo -75.03 139.98 24.83 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.578 1.831 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -37.76 -65.68 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 110.339 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -38.55 -72.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 99' ' ' VAL . 1.0 OUTLIER -45.12 -52.46 9.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 94' ' ' GLN . . . -49.78 -41.39 44.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 27.6 mmt -72.57 -22.26 61.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.508 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.4 OUTLIER -86.08 -50.13 14.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.83 HD21 HG11 ' A' ' 79' ' ' VAL . 0.1 OUTLIER -54.23 -41.28 68.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.426 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.5 OUTLIER -68.43 -45.1 82.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.426 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -71.12 -14.12 62.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.508 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 8.4 mmm-85 -88.18 -55.74 3.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.415 ' CG ' ' O ' ' A' ' 100' ' ' LEU . 2.7 m120 -58.28 -56.56 20.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.4 ' C ' ' O ' ' A' ' 104' ' ' ASN . 29.6 t80 -37.77 -48.73 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -50.13 -58.58 5.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.33 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.573 HG12 ' C ' ' A' ' 11' ' ' CYS . 73.1 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -40.23 -39.76 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.623 ' SG ' HD12 ' A' ' 65' ' ' ILE . 41.8 t -143.87 121.29 11.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 108.309 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.3 m -104.51 122.26 45.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.0 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.2 t -87.23 118.5 33.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.542 HG21 ' CD2' ' A' ' 49' ' ' LEU . 2.1 mm -100.56 102.81 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -110.99 99.43 8.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.009 HG12 HD12 ' A' ' 43' ' ' LEU . 33.3 m -79.99 58.42 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 174.43 -171.36 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -123.16 -43.69 2.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.5 -43.79 1.32 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.28 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.4 p -89.07 51.96 2.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.393 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -85.96 -56.58 3.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.433 1.083 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.99 -46.64 86.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -57.55 -60.97 2.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 111.053 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.61 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -52.65 -38.62 60.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.855 ' CG ' HD22 ' A' ' 40' ' ' LEU . 3.3 mt-10 -63.79 -10.78 21.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.147 . . . . 0.0 110.333 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.465 ' HA ' ' CZ ' ' A' ' 29' ' ' ARG . 7.2 t -89.27 -70.87 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.994 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.642 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -41.89 -30.52 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.645 ' HA2' HG11 ' A' ' 38' ' ' VAL . . . -75.09 -45.69 19.1 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.531 1.144 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.465 ' CZ ' ' HA ' ' A' ' 26' ' ' SER . 0.3 OUTLIER -70.39 -29.17 65.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 0.776 . . . . 0.0 110.294 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -59.94 -39.01 84.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.935 ' HB ' HG21 ' A' ' 38' ' ' VAL . 97.1 t -70.27 -27.22 31.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -73.22 -33.01 65.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 110.254 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -60.04 -17.74 41.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.5 OUTLIER -91.48 -11.92 36.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.345 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.96 31.49 6.94 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.455 1.097 . . . . 0.0 111.034 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.609 ' HB2' HG12 ' A' ' 31' ' ' VAL . 91.2 mtp -115.64 134.32 55.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 0.801 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.6 t -66.41 119.21 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.935 HG21 ' HB ' ' A' ' 31' ' ' VAL . 48.5 t -129.96 151.06 35.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.401 ' CG ' ' N ' ' A' ' 40' ' ' LEU . 16.4 t70 -144.03 168.42 20.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.855 HD22 ' CG ' ' A' ' 25' ' ' GLU . 1.5 mp -116.41 132.31 56.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 24.4 mt -114.75 106.31 20.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -93.02 120.56 33.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 1.009 HD12 HG12 ' A' ' 16' ' ' VAL . 39.2 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.9 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.002 -0.369 . . . . 0.0 110.002 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.542 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.3 OUTLIER -46.49 -55.13 7.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.6 p -44.43 -47.76 9.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.001 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -47.62 -31.45 4.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.335 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.453 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -83.11 -38.64 22.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 53' ' ' LEU . 23.6 mt -56.75 -44.15 81.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -57.67 -37.75 73.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.434 ' HA ' ' CG ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER -68.82 -33.38 73.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.941 HG11 ' HB2' ' A' ' 64' ' ' ALA . 69.2 t -64.75 -40.24 88.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.11 -51.16 7.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 110.037 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.447 ' HG3' ' N ' ' A' ' 59' ' ' GLY . 0.1 OUTLIER -63.88 -22.52 66.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.324 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.447 ' N ' ' HG3' ' A' ' 58' ' ' ARG . . . -85.65 -32.42 18.81 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 61' ' ' SER . . . 124.82 -29.57 4.88 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.859 ' HB3' HG13 ' A' ' 56' ' ' VAL . 1.0 OUTLIER -38.1 117.09 0.9 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 110.002 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.415 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.4 Cg_endo -75.0 -45.14 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.526 1.803 . . . . 0.0 111.017 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.563 ' CD1' HG12 ' A' ' 81' ' ' ILE . 9.9 m-30 -112.74 153.0 28.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.941 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -144.3 125.37 14.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.623 HD12 ' SG ' ' A' ' 11' ' ' CYS . 8.8 mt -95.23 141.43 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.453 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 0.4 OUTLIER -107.88 131.94 56.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.642 HD11 HG11 ' A' ' 27' ' ' VAL . 4.7 mm -125.79 150.87 31.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.57 HG22 ' CD2' ' A' ' 71' ' ' HIS . 2.5 t -174.62 161.48 3.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.441 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 68' ' ' THR . 8.7 mt-30 -38.38 -64.99 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.34 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 73' ' ' ILE . 0.0 OUTLIER -50.9 -62.27 1.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.327 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.57 ' CD2' HG22 ' A' ' 68' ' ' THR . 15.5 m-70 -39.78 -37.16 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.627 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -62.24 -50.6 71.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 70' ' ' GLN . 12.7 mt -56.25 -65.41 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -61.65 -17.64 56.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 109.617 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 71' ' ' HIS . 6.4 mtp180 61.93 33.99 17.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.269 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.4 p -123.54 143.14 50.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.978 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.521 ' HB2' HG23 ' A' ' 65' ' ' ILE . 1.7 p -121.19 175.5 6.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 108.327 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.643 HG23 ' O ' ' A' ' 89' ' ' HIS . 52.3 m -116.56 114.45 24.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.372 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.594 HG11 HD21 ' A' ' 100' ' ' LEU . 57.7 t -90.91 113.63 26.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -112.59 118.33 34.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.563 HG12 ' CD1' ' A' ' 63' ' ' PHE . 29.6 mt -84.82 144.28 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 62' ' ' PRO . 9.9 mmt -107.86 -28.02 9.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 111.045 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.609 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.3 OUTLIER -100.61 149.26 23.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 111.003 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.0 -165.59 54.77 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.472 1.108 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.738 HG23 ' HD2' ' A' ' 86' ' ' PRO . 2.6 m -51.16 146.46 11.18 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.528 0.781 . . . . 0.0 110.386 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.738 ' HD2' HG23 ' A' ' 85' ' ' THR . 18.3 Cg_endo -75.0 101.2 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.529 1.805 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -116.15 110.45 18.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -104.29 103.31 13.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.643 ' O ' HG23 ' A' ' 78' ' ' THR . 75.3 m-70 -88.05 110.96 21.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.61 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.9 mtp85 -103.2 128.91 50.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 60.08 94.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.464 ' CE ' ' HB3' ' A' ' 96' ' ' ASP . 9.6 mmm -138.95 136.99 18.81 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 92' ' ' MET . 18.2 Cg_endo -74.98 139.02 23.83 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.547 1.814 . . . . 0.0 111.019 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.46 ' CG ' HG23 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -39.13 -64.4 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.303 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -39.65 -49.58 2.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.464 ' HB3' ' CE ' ' A' ' 92' ' ' MET . 0.5 OUTLIER -62.89 -58.36 7.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -46.65 -43.34 17.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.411 ' O ' HG12 ' A' ' 101' ' ' VAL . 32.2 mmt -62.83 -29.22 70.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 111.039 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 96' ' ' ASP . 0.4 OUTLIER -83.41 -42.31 17.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.594 HD21 HG11 ' A' ' 79' ' ' VAL . 0.1 OUTLIER -63.85 -28.57 69.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.1 . . . . 0.0 109.267 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.498 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.5 OUTLIER -87.26 -49.66 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.349 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.498 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -60.73 -34.1 73.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.353 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.42 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 5.5 mmm180 -72.48 -66.8 0.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 110.259 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -49.01 -56.5 8.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.494 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 17.3 t80 -38.35 -57.71 1.09 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 111.046 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -41.01 -56.77 2.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.346 179.952 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.81 -42.82 3.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.58 ' O ' HG13 ' A' ' 38' ' ' VAL . 14.1 t -149.38 106.05 3.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 108.312 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.62 135.39 33.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.029 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.562 HG21 ' CA ' ' A' ' 28' ' ' GLY . 57.5 t -90.47 133.27 32.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.746 HG21 ' CD2' ' A' ' 49' ' ' LEU . 3.0 mm -110.1 110.84 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.581 HG22 ' O ' ' A' ' 17' ' ' ASN . 0.3 OUTLIER -125.85 97.17 4.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 109.349 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.649 HG12 ' CD1' ' A' ' 43' ' ' LEU . 10.8 m -68.96 -39.15 79.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.581 ' O ' HG22 ' A' ' 15' ' ' VAL . 4.7 m120 -79.93 173.08 12.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -111.22 -32.15 6.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -50.94 -38.9 53.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.665 HG21 ' O ' ' A' ' 68' ' ' THR . 5.6 p -86.45 50.19 1.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.371 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.462 ' HE3' ' CZ ' ' A' ' 42' ' ' PHE . 1.6 tttt -87.49 -40.99 13.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.32 -32.94 29.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.494 ' HE1' HG23 ' A' ' 67' ' ' ILE . 17.3 t80 -72.69 -54.57 8.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.962 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.742 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -58.02 -38.98 77.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.877 ' CG ' HD22 ' A' ' 40' ' ' LEU . 6.0 mt-10 -62.8 -12.16 22.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 29' ' ' ARG . 5.1 t -87.45 -67.67 0.81 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.108 . . . . 0.0 109.958 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.802 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -50.35 -29.16 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.665 ' O ' HG11 ' A' ' 38' ' ' VAL . . . -71.39 -23.52 77.96 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 0.0 110.941 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 26' ' ' SER . 3.5 ptm180 -93.02 -33.55 14.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 110.272 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.07 -33.55 26.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.96 ' HB ' HG21 ' A' ' 38' ' ' VAL . 19.1 t -77.8 -28.88 15.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 29' ' ' ARG . 27.9 mtm180 -73.43 -31.74 63.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -59.81 -18.01 40.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.5 OUTLIER -90.86 -11.68 38.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.97 25.67 11.15 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.499 1.124 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 89.3 mtp -108.25 135.33 49.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 0.784 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.4 t -65.91 123.56 19.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.96 HG21 ' HB ' ' A' ' 31' ' ' VAL . 86.0 t -136.46 150.98 27.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 0.0 109.278 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -142.87 168.2 20.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.877 HD22 ' CG ' ' A' ' 25' ' ' GLU . 0.8 OUTLIER -115.43 128.58 56.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.453 ' O ' HG13 ' A' ' 15' ' ' VAL . 18.5 mt -111.02 110.09 30.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.261 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.462 ' CZ ' ' HE3' ' A' ' 21' ' ' LYS . 41.5 m-85 -97.66 125.77 42.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.649 ' CD1' HG12 ' A' ' 16' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.746 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.4 OUTLIER -58.23 -62.22 1.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.26 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 85.8 p -44.98 -48.23 11.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.986 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -45.51 -32.53 2.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 1.011 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -87.1 -40.82 14.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.406 ' HG ' HD22 ' A' ' 49' ' ' LEU . 54.4 mt -58.86 -44.59 91.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -61.43 -34.49 75.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -80.89 -31.28 35.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 1.011 HG23 ' O ' ' A' ' 52' ' ' ALA . 69.8 t -60.1 -47.47 91.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -63.83 0.99 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 110.011 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.449 ' CG ' ' N ' ' A' ' 59' ' ' GLY . 0.3 OUTLIER -51.83 -39.32 58.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.274 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.449 ' N ' ' CG ' ' A' ' 58' ' ' ARG . . . -61.71 -32.16 80.62 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 127.08 -35.08 2.94 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.679 ' CB ' HG13 ' A' ' 56' ' ' VAL . 1.2 m -39.12 112.23 0.71 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.513 0.772 . . . . 0.0 110.046 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.1 Cg_endo -75.07 -41.59 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 110.967 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.573 ' CE1' HG12 ' A' ' 81' ' ' ILE . 14.3 m-30 -113.75 146.79 39.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 111.02 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.734 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -138.14 126.51 23.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.443 HG22 HG12 ' A' ' 67' ' ' ILE . 6.1 mt -97.52 130.53 46.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.6 HG22 HD11 ' A' ' 49' ' ' LEU . 0.5 OUTLIER -94.67 121.57 45.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.584 1.177 . . . . 0.0 109.331 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.802 HD11 HG11 ' A' ' 27' ' ' VAL . 4.4 mm -125.91 131.39 71.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.665 ' O ' HG21 ' A' ' 20' ' ' THR . 38.3 p -146.63 -165.73 2.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.391 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.24 -64.74 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.922 ' HA ' HD12 ' A' ' 73' ' ' ILE . 1.1 tt0 -46.67 -56.27 6.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.338 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.479 ' CE1' ' CG1' ' A' ' 66' ' ' VAL . 11.3 m80 -40.25 -55.43 2.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.619 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -39.12 -41.84 0.87 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.922 HD12 ' HA ' ' A' ' 70' ' ' GLN . 8.3 mt -64.03 -50.61 76.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.427 ' N ' ' O ' ' A' ' 71' ' ' HIS . 31.6 m-70 -76.12 -1.75 27.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.586 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 71' ' ' HIS . 0.1 OUTLIER 46.44 26.17 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.265 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -123.8 155.66 37.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.517 ' HB3' HD13 ' A' ' 67' ' ' ILE . 1.6 p -127.98 172.88 10.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 108.307 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.406 ' HB ' ' CG1' ' A' ' 66' ' ' VAL . 23.0 m -112.02 117.49 32.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.365 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.455 HG11 HD21 ' A' ' 100' ' ' LEU . 86.3 t -89.8 126.68 42.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -127.53 117.17 21.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.573 HG12 ' CE1' ' A' ' 63' ' ' PHE . 33.6 mt -83.77 145.11 8.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 62' ' ' PRO . 4.9 mmt -111.52 -23.8 10.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.473 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.3 OUTLIER -104.27 157.67 16.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 62.13 -171.21 10.3 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.76 HG23 ' HD2' ' A' ' 86' ' ' PRO . 2.5 m -41.06 146.55 0.48 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 0.773 . . . . 0.0 110.41 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.76 ' HD2' HG23 ' A' ' 85' ' ' THR . 18.1 Cg_endo -75.07 89.9 1.13 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.463 1.77 . . . . 0.0 110.933 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -109.63 113.99 27.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -112.92 109.31 18.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.421 ' CE1' ' CD1' ' A' ' 100' ' ' LEU . 40.8 m-70 -95.67 112.25 24.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.605 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -102.09 140.99 35.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.8 t30 54.54 92.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 13.1 mmm -139.58 137.22 18.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 144.75 30.54 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.546 1.814 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.481 ' CG ' HG23 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -39.0 -71.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.322 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -37.46 -62.14 0.54 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.44 -59.52 2.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -48.31 -48.5 35.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.407 ' SD ' ' O ' ' A' ' 94' ' ' GLN . 0.0 OUTLIER -58.42 -27.02 63.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.957 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.432 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.5 OUTLIER -85.55 -46.12 17.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.455 HD21 HG11 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -62.98 -28.58 70.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.478 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.8 OUTLIER -84.03 -48.13 17.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.478 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -63.48 -31.03 72.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.432 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 1.6 mmm180 -74.82 -58.69 3.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -56.69 -52.66 64.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.418 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 26.3 t80 -41.93 -53.49 3.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.58 1.175 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -44.25 -64.14 0.74 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 110.338 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.403 ' HA ' ' CG1' ' A' ' 37' ' ' VAL . 34.5 t . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.419 ' HB2' ' N ' ' A' ' 37' ' ' VAL . 0.6 OUTLIER -103.35 -32.3 9.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.578 ' O ' HG13 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -145.0 97.16 2.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 108.344 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.2 p -81.76 121.77 26.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.467 ' CG1' HG13 ' A' ' 67' ' ' ILE . 62.4 t -87.86 116.65 30.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.626 HG21 ' CD2' ' A' ' 49' ' ' LEU . 2.1 mm -100.16 105.78 18.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -111.15 95.99 4.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.061 HG12 HD12 ' A' ' 43' ' ' LEU . 11.1 m -80.66 66.16 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 167.93 127.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -51.85 -24.93 6.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.437 ' C ' ' N ' ' A' ' 21' ' ' LYS . 2.1 mm-40 -74.07 -165.03 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.348 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.583 HG21 ' O ' ' A' ' 68' ' ' THR . 1.3 p 39.94 29.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.355 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.437 ' N ' ' C ' ' A' ' 19' ' ' GLN . 4.8 tttt -63.75 -59.29 4.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -60.08 -52.61 64.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.252 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -49.74 -57.12 7.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.751 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -58.31 -38.06 76.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.851 ' CG ' HD22 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -66.18 -9.72 34.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 29' ' ' ARG . 4.2 t -91.39 -70.25 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.957 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.611 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -43.2 -29.11 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.782 ' CA ' HG11 ' A' ' 38' ' ' VAL . . . -72.71 -43.35 43.44 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.457 1.098 . . . . 0.0 110.951 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.477 ' CG ' ' N ' ' A' ' 30' ' ' LYS . 4.5 ptm180 -69.85 -40.99 75.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.754 . . . . 0.0 110.341 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.477 ' N ' ' CG ' ' A' ' 29' ' ' ARG . 8.6 mptt -46.01 -42.19 12.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.789 ' HB ' HG21 ' A' ' 38' ' ' VAL . 48.7 t -67.05 -35.53 74.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 29' ' ' ARG . 15.0 mtp180 -64.37 -31.32 72.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -61.81 -21.07 64.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.7 OUTLIER -89.04 -10.7 46.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.26 35.6 5.69 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.674 ' HB2' HG12 ' A' ' 31' ' ' VAL . 80.8 mtp -119.8 135.25 54.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.763 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.419 ' N ' ' HB2' ' A' ' 10' ' ' ASP . 22.3 t -65.49 123.17 17.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.789 HG21 ' HB ' ' A' ' 31' ' ' VAL . 30.7 t -128.84 148.96 33.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -143.96 167.16 23.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.851 HD22 ' CG ' ' A' ' 25' ' ' GLU . 1.5 mp -119.87 129.09 54.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 31.2 mt -118.94 107.92 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.415 ' CZ ' ' HE3' ' A' ' 21' ' ' LYS . 63.8 m-85 -90.41 124.71 35.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 1.061 HD12 HG12 ' A' ' 16' ' ' VAL . 4.6 mt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.091 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.9 t . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.626 ' CD2' HG21 ' A' ' 14' ' ' ILE . 1.0 OUTLIER -60.02 -50.74 72.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 84.1 p -45.28 -47.75 12.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -43.52 -31.41 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.302 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.13 -44.44 15.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.408 ' HG ' ' CD2' ' A' ' 49' ' ' LEU . 93.1 mt -59.94 -39.55 85.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -65.03 -24.47 67.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.266 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 59' ' ' GLY . 12.4 t0 -89.19 -26.02 21.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.63 HG13 ' CB ' ' A' ' 61' ' ' SER . 10.7 t -64.72 -60.8 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.31 -57.89 10.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.006 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.35 -36.51 73.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 55' ' ' ASP . . . -67.27 -32.62 80.26 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 61' ' ' SER . . . 131.46 -45.56 1.12 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.63 ' CB ' HG13 ' A' ' 56' ' ' VAL . 1.6 m -35.65 114.14 0.54 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.757 . . . . 0.0 109.978 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.4 Cg_endo -74.97 -39.62 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.492 1.785 . . . . 0.0 111.018 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.573 ' CE1' HG12 ' A' ' 81' ' ' ILE . 14.4 m-30 -112.44 152.7 28.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.623 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -145.1 132.32 20.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.7 mt -99.27 141.63 16.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.494 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 0.5 OUTLIER -107.13 127.67 62.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.355 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.751 HG21 ' HB2' ' A' ' 24' ' ' ALA . 4.6 mm -126.13 136.47 60.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.583 ' O ' HG21 ' A' ' 20' ' ' THR . 67.4 p -147.71 -148.79 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.424 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -89.55 -62.83 1.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.717 ' HA ' HD12 ' A' ' 73' ' ' ILE . 24.6 tt0 -54.23 -42.9 70.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.246 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.494 ' CE1' ' CG1' ' A' ' 66' ' ' VAL . 6.2 m170 -50.87 -30.58 14.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.586 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -68.31 -47.59 67.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 110.27 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.717 HD12 ' HA ' ' A' ' 70' ' ' GLN . 3.7 mt -60.43 -49.63 83.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.142 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 54.9 m-70 -79.98 -4.88 54.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.664 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 71' ' ' HIS . 0.0 OUTLIER 48.7 28.5 1.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.318 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.476 ' O ' ' CD2' ' A' ' 71' ' ' HIS . 1.1 p -115.3 155.72 26.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.025 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.6 p -132.81 175.42 9.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 108.281 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 24.0 m -114.98 113.97 24.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.372 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.433 HG11 ' CD2' ' A' ' 100' ' ' LEU . 77.0 t -90.01 110.17 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -108.63 129.49 55.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.573 HG12 ' CE1' ' A' ' 63' ' ' PHE . 41.3 mt -95.57 144.39 10.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 62' ' ' PRO . 12.1 mmt -106.85 -27.24 10.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.95 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.493 ' O ' ' CG2' ' A' ' 81' ' ' ILE . 0.4 OUTLIER -104.92 146.34 29.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.0 -170.12 54.52 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.729 HG23 ' HD2' ' A' ' 86' ' ' PRO . 2.7 m -46.67 146.48 2.53 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 0.0 110.373 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.729 ' HD2' HG23 ' A' ' 85' ' ' THR . 18.2 Cg_endo -75.03 95.94 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.526 1.803 . . . . 0.0 110.988 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -111.04 133.86 53.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.34 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -128.91 99.9 5.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.403 ' CD2' HD11 ' A' ' 100' ' ' LEU . 68.6 m-70 -86.45 110.51 19.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.629 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -101.18 132.46 46.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.308 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.4 m120 60.88 93.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.455 ' CE ' ' HB3' ' A' ' 96' ' ' ASP . 12.7 mmm -141.35 134.88 14.6 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 139.53 24.32 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.466 1.771 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.488 ' CG ' HG23 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -38.11 -62.87 0.53 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 110.344 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -38.95 -58.78 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.455 ' HB3' ' CE ' ' A' ' 92' ' ' MET . 0.6 OUTLIER -56.2 -56.55 19.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -46.2 -45.34 16.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.426 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 32.5 mmt -61.86 -29.43 70.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.952 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.486 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.4 OUTLIER -82.73 -44.32 19.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.433 ' CD2' HG11 ' A' ' 79' ' ' VAL . 0.1 OUTLIER -63.83 -28.5 69.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.503 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.7 OUTLIER -86.91 -49.76 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.503 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -60.42 -30.29 69.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.486 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 2.2 mmm180 -78.86 -57.8 3.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -57.74 -51.94 67.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.501 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 18.5 t80 -41.95 -48.29 4.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -48.37 -63.37 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.442 HG12 ' C ' ' A' ' 11' ' ' CYS . 70.5 t . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -42.16 -42.05 2.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.587 ' SG ' HD12 ' A' ' 65' ' ' ILE . 49.4 t -148.69 110.73 4.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 108.3 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.5 m -96.82 133.29 41.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.042 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.462 HG21 ' CA ' ' A' ' 28' ' ' GLY . 61.6 t -88.47 127.35 41.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.574 HG21 ' CD2' ' A' ' 49' ' ' LEU . 2.2 mm -107.83 107.82 23.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -118.08 96.9 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.954 HG12 HD12 ' A' ' 43' ' ' LEU . 12.2 m -78.74 55.76 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -178.94 -171.12 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -122.35 -43.18 2.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.69 -43.1 1.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.45 HG22 ' HG3' ' A' ' 72' ' ' GLN . 2.2 p -89.42 52.68 2.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.39 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.452 ' HE3' ' CZ ' ' A' ' 42' ' ' PHE . 7.0 tttt -89.08 -47.9 7.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.77 -46.12 59.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.494 ' HE1' HD12 ' A' ' 67' ' ' ILE . 16.3 t80 -58.89 -56.88 16.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.08 -42.86 73.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.253 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.851 ' HG2' HD22 ' A' ' 40' ' ' LEU . 3.7 mt-10 -59.82 -14.27 14.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.281 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' ARG . 4.6 t -86.67 -67.38 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.794 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -49.47 -28.67 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.599 ' O ' HG11 ' A' ' 38' ' ' VAL . . . -71.45 -27.44 71.38 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.0 OUTLIER -91.61 -31.26 15.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 110.291 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.85 -40.81 61.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.945 ' HB ' HG21 ' A' ' 38' ' ' VAL . 52.2 t -70.4 -31.47 46.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.409 ' CZ ' ' HA ' ' A' ' 29' ' ' ARG . 87.9 mtm-85 -69.23 -32.57 71.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.297 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -60.05 -17.39 38.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.5 OUTLIER -92.38 -12.68 31.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.86 28.56 8.21 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.667 ' HB2' HG12 ' A' ' 31' ' ' VAL . 90.8 mtp -112.01 135.06 53.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.769 . . . . 0.0 111.018 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.8 t -66.02 123.66 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.945 HG21 ' HB ' ' A' ' 31' ' ' VAL . 96.4 t -135.82 152.39 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -143.98 168.38 20.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.851 HD22 ' HG2' ' A' ' 25' ' ' GLU . 0.9 OUTLIER -114.69 128.46 56.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.498 ' CG2' HD21 ' A' ' 43' ' ' LEU . 10.0 mt -112.72 110.93 34.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.452 ' CZ ' ' HE3' ' A' ' 21' ' ' LYS . 40.2 m-85 -97.16 135.54 38.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 111.03 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.954 HD12 HG12 ' A' ' 16' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.3 t . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.674 ' HB2' HG11 ' A' ' 16' ' ' VAL . 0.5 OUTLIER -53.56 -54.79 32.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.405 1.065 . . . . 0.0 109.271 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 96.3 p -48.34 -44.29 34.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.995 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -48.5 -35.05 12.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.306 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.611 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -79.35 -38.17 35.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.434 ' HG ' ' CD2' ' A' ' 49' ' ' LEU . 47.9 mt -63.01 -42.99 99.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.592 1.182 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -60.2 -31.71 70.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.148 . . . . 0.0 110.345 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.45 ' OD1' ' NE ' ' A' ' 58' ' ' ARG . 8.9 t0 -83.61 -22.68 32.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.772 HG11 ' HB2' ' A' ' 64' ' ' ALA . 12.2 t -69.21 -41.27 81.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.43 -55.97 5.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.036 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.45 ' NE ' ' OD1' ' A' ' 55' ' ' ASP . 16.1 ptt85 -60.45 -36.69 78.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.407 ' N ' ' CG ' ' A' ' 58' ' ' ARG . . . -65.32 -31.96 82.16 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.125 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 121.62 -28.24 6.02 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.669 ' HB3' HG13 ' A' ' 56' ' ' VAL . 1.0 OUTLIER -39.85 113.39 0.89 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.561 0.801 . . . . 0.0 110.018 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.414 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.4 Cg_endo -75.01 -38.26 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.49 1.784 . . . . 0.0 111.048 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.558 ' CD1' HG12 ' A' ' 81' ' ' ILE . 13.8 m-30 -114.99 152.32 32.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 111.064 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.772 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -142.33 123.05 14.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.587 HD12 ' SG ' ' A' ' 11' ' ' CYS . 7.1 mt -95.34 133.33 36.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.243 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.488 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 0.8 OUTLIER -101.32 125.62 55.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.794 HD11 HG11 ' A' ' 27' ' ' VAL . 4.3 mm -125.35 155.38 34.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.713 HG23 ' N ' ' A' ' 69' ' ' GLN . 0.6 OUTLIER -178.9 -170.21 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.391 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.713 ' N ' HG23 ' A' ' 68' ' ' THR . 80.4 mt-30 -57.05 -65.17 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.26 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.437 ' HA ' HD12 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -51.49 -62.23 1.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.287 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.488 ' NE2' ' CG1' ' A' ' 66' ' ' VAL . 89.1 m-70 -39.11 -39.03 0.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.612 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.45 ' HG3' HG22 ' A' ' 20' ' ' THR . 1.5 tt0 -60.15 -58.14 9.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.437 HD12 ' HA ' ' A' ' 70' ' ' GLN . 11.0 mt -51.03 -69.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -56.08 -19.9 14.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.618 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 71' ' ' HIS . 0.0 OUTLIER 65.12 25.83 12.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.439 ' OG ' ' HA ' ' A' ' 93' ' ' PRO . 32.5 m -122.69 146.95 47.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.012 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.615 ' HB3' HD13 ' A' ' 67' ' ' ILE . 1.8 p -125.56 175.08 7.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 108.301 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.493 ' CG2' ' HB3' ' A' ' 90' ' ' ARG . 20.3 m -109.89 118.86 37.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.382 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.426 ' N ' ' O ' ' A' ' 89' ' ' HIS . 72.6 t -90.22 113.11 25.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -112.42 128.17 56.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.558 HG12 ' CD1' ' A' ' 63' ' ' PHE . 43.0 mt -94.21 144.35 9.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.649 ' HG3' HG12 ' A' ' 56' ' ' VAL . 13.4 mmt -107.22 -26.83 10.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.983 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.589 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -89.48 149.67 22.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.978 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 58.28 -165.19 7.63 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.75 HG23 ' HD2' ' A' ' 86' ' ' PRO . 2.5 m -44.03 146.49 1.08 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.542 0.789 . . . . 0.0 110.411 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.75 ' HD2' HG23 ' A' ' 85' ' ' THR . 18.1 Cg_endo -75.04 101.87 1.52 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.533 1.807 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -111.32 120.18 41.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -115.56 116.11 27.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.318 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.426 ' O ' ' N ' ' A' ' 79' ' ' VAL . 60.2 m-70 -116.63 109.39 17.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.6 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.493 ' HB3' ' CG2' ' A' ' 78' ' ' THR . 0.0 OUTLIER -117.94 166.59 12.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.338 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 63.96 16.61 10.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 18.3 mmm -82.77 133.66 48.61 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 111.034 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.439 ' HA ' ' OG ' ' A' ' 76' ' ' SER . 18.1 Cg_endo -75.03 145.73 31.7 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.45 1.763 . . . . 0.0 110.973 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.498 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 0.1 OUTLIER -37.29 -71.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 98' ' ' MET . . . -37.68 -71.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -40.8 -48.79 3.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 94' ' ' GLN . . . -56.63 -46.25 81.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -62.06 -23.44 66.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -86.24 -48.37 15.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.433 ' N ' HG12 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -59.97 -28.03 67.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.494 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.8 OUTLIER -85.37 -49.63 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.494 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -56.29 -27.91 56.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 104' ' ' ASN . 9.6 mmm-85 -85.28 -72.48 0.48 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 110.301 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 103' ' ' ARG . 7.7 m-80 -39.11 -46.97 1.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.481 ' CE2' ' HG2' ' A' ' 36' ' ' MET . 2.8 t80 -46.81 -60.25 2.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.974 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -56.23 -39.52 72.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 179.953 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 73.4 t . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -72.0 -45.54 60.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 109.334 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.67 ' O ' HG13 ' A' ' 38' ' ' VAL . 7.4 t -149.0 104.88 3.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 108.321 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.7 m -86.55 139.99 30.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.034 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.451 ' CG1' HG13 ' A' ' 67' ' ' ILE . 87.6 t -99.64 120.6 49.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.744 HG21 HD23 ' A' ' 49' ' ' LEU . 2.7 mm -99.18 117.37 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -123.59 103.25 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.237 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.043 HG12 HD12 ' A' ' 43' ' ' LEU . 28.6 m -86.69 60.56 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 172.67 -178.75 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.53 -42.86 3.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -45.0 -45.11 10.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.282 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.469 ' CG2' ' HB2' ' A' ' 72' ' ' GLN . 1.3 p -86.16 49.46 1.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.16 . . . . 0.0 110.347 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -86.9 -54.98 4.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -64.84 -50.96 64.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -51.8 -57.27 9.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.875 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -58.72 -39.09 79.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.9 ' CG ' HD22 ' A' ' 40' ' ' LEU . 2.5 mt-10 -62.01 -13.12 22.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 29' ' ' ARG . 5.7 t -89.01 -66.51 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.99 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.781 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -43.16 -30.76 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.158 . . . . 0.0 109.302 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.704 ' HA2' HG11 ' A' ' 38' ' ' VAL . . . -67.92 -43.24 83.48 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.138 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.505 ' CG ' ' N ' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -68.84 -42.35 77.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 0.0 110.354 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.505 ' N ' ' CG ' ' A' ' 29' ' ' ARG . 0.2 OUTLIER -46.48 -42.43 15.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.972 ' HB ' HG21 ' A' ' 38' ' ' VAL . 51.2 t -69.12 -34.53 63.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 29' ' ' ARG . 7.4 mtm180 -68.67 -31.82 71.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -60.67 -17.54 48.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.7 OUTLIER -92.16 -11.46 35.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.81 28.72 8.61 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.464 1.102 . . . . 0.0 111.022 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.574 ' HB2' HG12 ' A' ' 31' ' ' VAL . 90.0 mtp -113.45 132.19 55.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.53 123.47 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.972 HG21 ' HB ' ' A' ' 31' ' ' VAL . 73.8 t -133.31 149.2 31.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.137 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -140.83 168.61 19.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.9 HD22 ' CG ' ' A' ' 25' ' ' GLU . 0.9 OUTLIER -116.73 127.91 54.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.8 mt -114.0 110.4 31.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.339 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -96.83 133.55 41.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 1.043 HD12 HG12 ' A' ' 16' ' ' VAL . 1.3 mt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.744 HD23 HG21 ' A' ' 14' ' ' ILE . 0.5 OUTLIER -58.8 -59.36 5.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 53' ' ' LEU . 83.1 p -44.96 -56.98 4.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.023 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -40.82 -32.15 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.759 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -88.35 -41.3 12.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 50' ' ' SER . 57.9 mt -58.18 -48.37 80.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -56.97 -30.08 63.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.272 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.406 ' HA ' ' CD ' ' A' ' 58' ' ' ARG . 54.9 t0 -82.51 -32.27 28.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 52' ' ' ALA . 75.0 t -58.13 -59.13 3.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 60' ' ' GLY . 0.0 OUTLIER -59.0 -63.37 1.33 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.415 1.072 . . . . 0.0 109.99 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.409 ' CG ' ' N ' ' A' ' 59' ' ' GLY . 19.1 ptt180 -48.41 -36.0 13.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.409 ' N ' ' CG ' ' A' ' 58' ' ' ARG . . . -69.66 -25.94 74.99 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.133 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 57' ' ' SER . . . 113.59 -24.8 11.72 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.602 ' CB ' HG13 ' A' ' 56' ' ' VAL . 2.7 m -39.65 115.42 1.04 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.54 0.788 . . . . 0.0 110.007 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -44.68 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.779 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.454 ' CE1' HG12 ' A' ' 81' ' ' ILE . 11.7 m-30 -115.5 147.21 40.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.676 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -139.37 126.84 21.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.0 mt -94.75 137.22 23.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.433 ' CG1' ' HB ' ' A' ' 78' ' ' THR . 0.5 OUTLIER -102.39 128.65 54.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.581 1.176 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.875 HG21 ' HB2' ' A' ' 24' ' ' ALA . 4.1 mm -126.66 146.04 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.705 HG22 ' CD2' ' A' ' 71' ' ' HIS . 4.6 t -172.29 154.94 3.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.414 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -41.02 -63.81 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.279 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.682 ' HA ' HD12 ' A' ' 73' ' ' ILE . 4.9 tp60 -42.44 -49.11 5.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.32 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.705 ' CD2' HG22 ' A' ' 68' ' ' THR . 16.3 m-70 -57.17 -54.44 46.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.635 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.469 ' HB2' ' CG2' ' A' ' 20' ' ' THR . 0.8 OUTLIER -38.67 -40.74 0.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.266 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.682 HD12 ' HA ' ' A' ' 70' ' ' GLN . 7.6 mt -63.62 -52.21 60.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.43 ' N ' ' O ' ' A' ' 71' ' ' HIS . 64.6 m-70 -75.83 -2.15 28.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.611 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 71' ' ' HIS . 0.0 OUTLIER 48.05 26.98 1.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.2 p -124.32 156.08 37.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.7 p -128.08 175.54 8.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 108.294 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 89' ' ' HIS . 93.5 m -116.92 120.23 37.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.414 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.502 HG11 HD21 ' A' ' 100' ' ' LEU . 61.6 t -90.71 116.27 31.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.2 116.23 29.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.454 HG12 ' CE1' ' A' ' 63' ' ' PHE . 27.2 mt -83.93 146.12 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 7.2 mmt -114.93 -27.68 7.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.593 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -91.16 150.09 21.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 53.66 -154.18 7.7 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.489 1.118 . . . . 0.0 110.963 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.411 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 3.1 m -49.93 129.27 21.74 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.515 0.774 . . . . 0.0 110.405 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 85' ' ' THR . 18.3 Cg_endo -75.03 97.85 1.11 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.503 1.791 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -109.45 115.05 29.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -108.05 97.63 7.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.438 1.086 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.53 ' O ' HG23 ' A' ' 78' ' ' THR . 24.1 m80 -81.64 115.47 20.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.574 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.0 mtp85 -102.25 135.32 44.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.292 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 30.4 m-20 63.47 87.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 19.9 mmm -139.0 130.97 15.41 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 94' ' ' GLN . 18.2 Cg_endo -75.0 143.12 28.68 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.511 1.795 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -38.35 -64.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 110.285 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -38.24 -63.99 0.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -53.95 -49.78 67.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -50.49 -44.13 55.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.43 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 29.9 mmt -63.97 -27.67 69.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -83.05 -44.91 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.502 HD21 HG11 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -63.27 -28.08 69.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.504 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.8 OUTLIER -87.65 -49.6 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.504 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -58.51 -37.09 74.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 9.9 mmm-85 -71.74 -69.17 0.4 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 110.251 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -44.51 -57.84 3.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.549 ' CD2' ' SD ' ' A' ' 36' ' ' MET . 2.9 t80 -40.54 -53.58 2.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -49.6 -70.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.253 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 10' ' ' ASP . 51.5 t . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 9' ' ' VAL . 0.4 OUTLIER -40.7 -48.16 2.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.352 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.679 ' O ' HG13 ' A' ' 38' ' ' VAL . 25.4 t -148.89 104.83 3.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 108.314 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.83 145.47 24.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.0 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.582 HG21 ' CA ' ' A' ' 28' ' ' GLY . 95.3 t -97.74 129.7 47.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.758 HG21 ' CD2' ' A' ' 49' ' ' LEU . 2.8 mm -109.21 103.62 15.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.594 HG23 ' OG1' ' A' ' 20' ' ' THR . 1.4 p -112.69 97.07 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.314 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.81 HG12 HD12 ' A' ' 43' ' ' LEU . 13.0 m -72.79 -44.05 59.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -65.83 130.09 42.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -86.42 49.35 1.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 21' ' ' LYS . 0.6 OUTLIER -138.85 -47.39 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.764 HG21 ' O ' ' A' ' 68' ' ' THR . 41.5 p -69.71 59.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.422 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.471 ' HE3' ' CZ ' ' A' ' 42' ' ' PHE . 3.3 tttt -88.76 -34.89 16.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -90.33 -24.83 20.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.583 ' CE2' ' HA ' ' A' ' 72' ' ' GLN . 11.2 t80 -79.88 -53.21 6.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 111.044 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.403 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -60.98 -38.99 87.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.854 ' HG2' HD22 ' A' ' 40' ' ' LEU . 4.1 mt-10 -60.36 -13.99 16.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 29' ' ' ARG . 3.7 t -87.1 -69.37 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.045 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.58 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -49.59 -28.52 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.582 ' CA ' HG21 ' A' ' 13' ' ' VAL . . . -70.87 -28.48 70.59 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -91.42 -32.99 15.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 0.781 . . . . 0.0 110.287 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -49.49 -41.13 39.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.941 ' HB ' HG21 ' A' ' 38' ' ' VAL . 55.6 t -69.52 -35.08 64.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -65.44 -31.81 73.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -61.14 -18.81 60.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.488 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.5 OUTLIER -91.06 -11.65 38.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.74 28.84 8.56 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.451 1.095 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.661 ' HB2' HG12 ' A' ' 31' ' ' VAL . 95.4 mtp -112.65 134.21 54.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.784 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 45.2 t -65.66 123.1 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.941 HG21 ' HB ' ' A' ' 31' ' ' VAL . 80.2 t -135.31 150.66 29.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -141.68 167.67 21.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.854 HD22 ' HG2' ' A' ' 25' ' ' GLU . 1.1 mp -113.43 128.55 56.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.8 mt -115.3 104.7 17.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.471 ' CZ ' ' HE3' ' A' ' 21' ' ' LYS . 49.9 m-85 -91.27 125.23 35.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.81 HD12 HG12 ' A' ' 16' ' ' VAL . 1.5 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.758 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.9 OUTLIER -63.64 -58.04 8.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 53' ' ' LEU . 66.4 p -41.5 -55.0 2.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.965 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 50' ' ' SER . 0.8 OUTLIER -38.57 -37.97 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 110.263 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.779 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -81.45 -44.6 17.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.137 . . . . 0.0 109.305 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 50' ' ' SER . 67.2 mt -57.27 -39.92 76.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.143 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -61.81 -32.44 72.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.287 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -84.6 -29.39 25.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 52' ' ' ALA . 79.5 t -60.39 -51.21 75.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 109.251 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 60' ' ' GLY . 0.3 OUTLIER -63.8 -64.07 0.99 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.155 . . . . 0.0 110.023 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.414 ' CG ' ' N ' ' A' ' 59' ' ' GLY . 2.5 ptm180 -48.17 -36.38 13.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.414 ' N ' ' CG ' ' A' ' 58' ' ' ARG . . . -67.1 -28.74 73.85 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 57' ' ' SER . . . 119.34 -28.29 6.61 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.6 ' CB ' HG13 ' A' ' 56' ' ' VAL . 0.4 OUTLIER -40.51 111.7 0.8 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 109.997 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.421 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.2 Cg_endo -75.01 -41.28 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.509 1.794 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.506 ' CD1' HG12 ' A' ' 81' ' ' ILE . 14.8 m-30 -112.9 147.25 37.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.676 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -141.55 124.75 16.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.474 HG23 ' HB2' ' A' ' 77' ' ' CYS . 30.1 mt -95.09 138.44 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.669 HG22 HD11 ' A' ' 49' ' ' LEU . 0.5 OUTLIER -102.97 130.92 52.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.58 HD11 HG11 ' A' ' 27' ' ' VAL . 3.4 mm -129.52 141.27 46.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.764 ' O ' HG21 ' A' ' 20' ' ' THR . 44.8 p -149.62 -147.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.377 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -90.03 -56.83 3.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -59.5 -46.64 88.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.441 ' O ' ' N ' ' A' ' 75' ' ' ARG . 7.2 m-70 -49.38 -32.09 10.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.569 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.583 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 4.5 tt0 -66.88 -46.15 75.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.278 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.4 mt -68.25 -50.49 57.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -70.97 -15.16 62.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.583 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 71' ' ' HIS . 2.4 mmm180 59.23 25.48 14.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.337 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.422 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 1.1 p -120.53 143.26 48.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.023 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.474 ' HB2' HG23 ' A' ' 65' ' ' ILE . 1.7 p -122.61 175.54 6.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 108.323 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.584 HG23 ' O ' ' A' ' 89' ' ' HIS . 50.7 m -115.44 115.03 25.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 86.6 t -90.37 118.61 35.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -117.16 121.08 40.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.506 HG12 ' CD1' ' A' ' 63' ' ' PHE . 39.3 mt -86.45 144.47 9.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 62' ' ' PRO . 11.0 mmt -106.26 -27.14 11.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.549 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -102.02 151.14 22.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.953 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.62 -175.83 36.66 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 110.972 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.722 HG23 ' HD2' ' A' ' 86' ' ' PRO . 2.6 m -41.11 146.44 0.5 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.542 0.79 . . . . 0.0 110.45 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.722 ' HD2' HG23 ' A' ' 85' ' ' THR . 18.4 Cg_endo -74.99 101.14 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.513 1.796 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -115.46 120.65 40.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -114.02 109.0 17.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.584 ' O ' HG23 ' A' ' 78' ' ' THR . 82.8 m-70 -95.64 111.81 23.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.591 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -100.65 139.18 36.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.282 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 51.34 96.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.465 ' CE ' ' HB3' ' A' ' 96' ' ' ASP . 14.3 mmm -140.92 133.34 14.24 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 92' ' ' MET . 18.4 Cg_endo -74.98 140.6 25.69 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.472 1.775 . . . . 0.0 111.025 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.3 OUTLIER -37.08 -66.37 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -37.29 -57.08 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.465 ' HB3' ' CE ' ' A' ' 92' ' ' MET . 0.4 OUTLIER -54.22 -60.65 3.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -44.87 -47.5 11.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.451 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 31.3 mmt -58.57 -32.59 69.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 111.038 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 96' ' ' ASP . 0.4 OUTLIER -81.5 -43.36 20.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.431 ' O ' ' ND2' ' A' ' 104' ' ' ASN . 0.1 OUTLIER -65.18 -29.49 70.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.493 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.7 OUTLIER -85.97 -49.06 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.493 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -60.74 -35.85 77.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.427 ' HB3' ' NH1' ' A' ' 103' ' ' ARG . 1.4 mmm180 -72.85 -62.13 1.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 110.329 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 100' ' ' LEU . 3.8 m-80 -51.58 -54.09 31.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.46 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 8.8 t80 -40.55 -54.14 2.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -44.96 -56.94 4.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.6 t . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -41.32 -41.17 1.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.495 ' O ' HG13 ' A' ' 38' ' ' VAL . 7.8 t -148.94 111.46 4.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 108.302 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.7 m -96.76 134.03 40.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 109.999 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.5 t -91.74 122.46 43.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.717 HG21 ' CD2' ' A' ' 49' ' ' LEU . 2.0 mm -104.68 99.58 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -110.75 99.59 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.95 HG12 HD12 ' A' ' 43' ' ' LEU . 10.7 m -79.72 61.23 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 173.44 176.27 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 109.306 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -113.72 -34.49 5.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -49.36 -48.34 46.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.39 55.16 3.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.388 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.511 ' O ' ' CG ' ' A' ' 25' ' ' GLU . 3.3 tttt -88.57 -69.14 0.72 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -47.84 -43.84 28.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.641 ' HE2' HG23 ' A' ' 67' ' ' ILE . 36.5 t80 -58.87 -65.79 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.142 . . . . 0.0 111.029 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.96 -40.69 44.69 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.56 1.162 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 4.2 mm-40 -54.5 -27.77 40.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 0.0 110.265 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 29' ' ' ARG . 6.1 t -77.05 -65.06 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.996 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.734 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -49.18 -29.22 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.575 ' O ' HG11 ' A' ' 38' ' ' VAL . . . -77.6 -27.81 58.46 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -91.74 -27.81 17.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 0.737 . . . . 0.0 110.283 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.8 mmtt -59.6 -36.72 76.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.963 ' HB ' HG21 ' A' ' 38' ' ' VAL . 74.2 t -72.09 -28.59 30.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -72.23 -32.12 66.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -59.95 -19.78 53.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.7 OUTLIER -89.12 -11.2 44.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.46 21.66 23.85 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.545 1.153 . . . . 0.0 111.025 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.418 ' CE ' HG22 ' A' ' 101' ' ' VAL . 91.5 mtp -105.1 136.05 45.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 0.762 . . . . 0.0 111.044 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.2 t -66.51 123.01 18.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.963 HG21 ' HB ' ' A' ' 31' ' ' VAL . 97.4 t -132.66 148.86 31.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -135.91 168.32 19.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.283 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.504 HD21 ' HG2' ' A' ' 25' ' ' GLU . 0.3 OUTLIER -121.42 123.93 43.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.7 mt -111.97 114.09 46.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.426 ' CE2' HD23 ' A' ' 40' ' ' LEU . 37.5 m-85 -99.43 125.99 45.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 111.052 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.95 HD12 HG12 ' A' ' 16' ' ' VAL . 1.5 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.251 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.0 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.717 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.5 OUTLIER -70.01 -59.3 2.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 95.4 p -43.09 -45.31 5.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 109.955 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -47.44 -36.29 9.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.286 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.752 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -78.68 -40.89 32.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.2 mt -60.92 -32.19 71.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -69.36 -30.57 68.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 110.325 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -83.36 -24.63 31.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.77 HG11 ' HB2' ' A' ' 64' ' ' ALA . 69.5 t -65.93 -51.08 65.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.83 -61.4 2.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.006 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.414 ' HG2' ' N ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER -54.99 -36.53 65.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.414 ' N ' ' HG2' ' A' ' 58' ' ' ARG . . . -66.88 -29.65 74.97 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.63 -29.03 6.23 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.752 ' CB ' HG13 ' A' ' 56' ' ' VAL . 0.9 OUTLIER -39.03 115.27 0.92 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.482 0.754 . . . . 0.0 110.004 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.421 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.4 Cg_endo -74.93 -40.92 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.524 1.802 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.522 ' CD1' HG12 ' A' ' 81' ' ' ILE . 11.4 m-30 -116.65 153.43 32.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.77 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -142.91 123.35 13.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 15.5 mt -94.82 132.94 37.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.436 ' O ' ' CB ' ' A' ' 77' ' ' CYS . 0.8 OUTLIER -101.38 132.66 46.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.734 HD11 HG11 ' A' ' 27' ' ' VAL . 4.4 mm -126.32 154.82 36.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.602 HG22 ' CD2' ' A' ' 71' ' ' HIS . 3.7 t -175.13 162.86 3.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.397 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.1 -64.77 0.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 73' ' ' ILE . 1.1 tp60 -51.09 -58.57 5.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.602 ' CD2' HG22 ' A' ' 68' ' ' THR . 11.8 m-70 -42.65 -31.1 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.649 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -71.37 -46.32 60.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 70' ' ' GLN . 14.7 mt -63.06 -40.18 88.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -89.08 -4.86 58.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.599 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 71' ' ' HIS . 5.8 mtp180 49.87 29.86 3.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.401 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 1.1 p -122.55 143.3 49.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.04 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.479 ' HB3' HD13 ' A' ' 67' ' ' ILE . 1.8 p -124.62 174.2 8.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.128 . . . . 0.0 108.294 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.819 HG23 ' O ' ' A' ' 89' ' ' HIS . 40.1 m -112.45 112.66 24.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.421 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 92.0 t -90.37 114.08 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.359 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -112.65 126.69 55.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.522 HG12 ' CD1' ' A' ' 63' ' ' PHE . 22.3 mt -88.54 145.77 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 62' ' ' PRO . 7.0 mmt -112.78 -27.88 7.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.591 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -94.97 151.72 18.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.982 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 52.61 -159.56 3.14 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.2 m -45.76 119.23 4.59 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 0.0 110.396 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 105.18 2.03 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.499 1.789 . . . . 0.0 110.998 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -110.77 120.34 42.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -97.33 104.32 16.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.568 1.168 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.819 ' O ' HG23 ' A' ' 78' ' ' THR . 84.9 m-70 -90.98 111.14 22.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.628 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -99.02 131.17 45.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 110.256 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 54.48 100.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.412 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 14.7 mmm -138.43 137.35 20.29 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 92' ' ' MET . 18.3 Cg_endo -74.96 139.53 24.51 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.543 1.812 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.545 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 0.0 OUTLIER -38.32 -68.71 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.266 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 98' ' ' MET . . . -38.39 -68.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.401 ' O ' HG12 ' A' ' 99' ' ' VAL . 68.4 t0 -47.39 -41.69 20.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 94' ' ' GLN . . . -60.56 -35.46 76.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 95' ' ' ALA . 31.6 mmt -73.72 -31.79 63.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.501 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.4 OUTLIER -79.79 -40.19 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.99 -32.76 74.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.7 OUTLIER -83.48 -48.12 17.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.475 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -61.07 -32.21 71.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.501 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 7.3 mmm-85 -75.54 -69.09 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 110.249 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -44.89 -49.83 10.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.44 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 17.4 t80 -43.36 -55.63 3.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -44.4 -55.66 4.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.35 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -161.48 -58.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 109.987 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 m -147.68 -58.62 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.955 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.73 97.54 0.67 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.477 1.11 . . . . 0.0 110.963 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.73 -57.35 3.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 0.735 . . . . 0.0 109.994 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.5 -56.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 109.988 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.16 -163.88 30.63 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.527 1.142 . . . . 0.0 111.052 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 138.5 23.08 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.498 1.789 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.6 t -101.53 114.31 40.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -44.11 -44.96 7.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.152 . . . . 0.0 109.363 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.704 ' O ' HG13 ' A' ' 38' ' ' VAL . 49.7 t -146.37 101.64 3.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 108.301 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.81 137.84 31.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.178 . . . . 0.0 110.022 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 73.3 t -97.65 126.67 50.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.702 HG21 ' CD2' ' A' ' 49' ' ' LEU . 3.9 mm -103.29 116.69 47.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -132.07 99.91 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.515 HG12 HD12 ' A' ' 43' ' ' LEU . 13.3 m -69.96 -43.85 79.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.355 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.518 ' O ' HG22 ' A' ' 15' ' ' VAL . 0.6 OUTLIER -76.86 169.46 18.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -104.07 -45.17 4.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.12 -39.09 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.7 p -85.35 49.25 1.72 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.439 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -86.83 -40.66 14.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -81.17 -54.44 5.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.517 ' CE2' ' HA ' ' A' ' 72' ' ' GLN . 2.3 t80 -48.95 -42.58 37.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.597 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -74.54 -33.27 62.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -14.4 17.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.32 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 29' ' ' ARG . 8.9 t -91.37 -67.28 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.96 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.725 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -39.38 -34.19 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.698 ' HA2' HG11 ' A' ' 38' ' ' VAL . . . -72.52 -48.83 21.73 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.551 1.157 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.3 ptt180 -67.01 -29.79 69.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 0.742 . . . . 0.0 110.34 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -58.88 -43.85 91.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.344 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.964 ' HB ' HG21 ' A' ' 38' ' ' VAL . 99.5 t -68.51 -25.54 31.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -75.08 -32.3 61.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -61.59 -18.1 57.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.499 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.8 OUTLIER -89.98 -12.5 38.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.35 26.47 10.06 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.607 ' HE1' HG22 ' A' ' 101' ' ' VAL . 74.6 mtp -112.05 133.46 54.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 0.726 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 49.2 t -65.76 126.44 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.964 HG21 ' HB ' ' A' ' 31' ' ' VAL . 84.2 t -134.85 148.5 29.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -137.1 168.34 19.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.03 126.29 51.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.45 ' O ' HG13 ' A' ' 15' ' ' VAL . 21.2 mt -109.89 112.07 38.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -99.47 124.19 44.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.539 HD22 ' CG2' ' A' ' 47' ' ' VAL . 0.7 OUTLIER -118.56 59.57 0.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -64.29 92.25 0.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.522 HG22 ' O ' ' A' ' 45' ' ' THR . 54.9 m 52.61 42.63 31.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 110.385 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.677 ' O ' HG22 ' A' ' 47' ' ' VAL . 0.5 OUTLIER -139.57 133.02 30.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.677 HG22 ' O ' ' A' ' 46' ' ' GLU . 7.7 m 48.66 -156.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.417 ' N ' HG23 ' A' ' 47' ' ' VAL . 42.8 m -137.08 -179.29 5.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.974 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.702 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.8 OUTLIER -62.09 -58.84 6.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 53' ' ' LEU . 0.7 OUTLIER -42.19 -55.05 3.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.996 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -41.66 -36.97 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.334 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.705 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -80.79 -41.18 23.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 50' ' ' SER . 80.0 mt -59.09 -38.22 78.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -64.43 -40.03 94.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 0.0 110.257 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.466 ' HA ' ' CD ' ' A' ' 58' ' ' ARG . 14.7 t0 -76.3 -25.48 54.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.728 HG11 ' HB2' ' A' ' 64' ' ' ALA . 19.0 t -62.45 -53.39 47.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.087 . . . . 0.0 109.245 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.48 -61.94 1.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.003 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.466 ' CD ' ' HA ' ' A' ' 55' ' ' ASP . 0.2 OUTLIER -49.94 -34.09 19.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.318 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -71.28 -30.29 67.36 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 120.9 -27.89 6.32 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.637 ' HB3' HG13 ' A' ' 56' ' ' VAL . 0.5 OUTLIER -41.33 108.99 0.61 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 110.02 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.1 Cg_endo -75.03 -37.04 2.19 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.478 1.778 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.567 ' CD1' HG12 ' A' ' 81' ' ' ILE . 10.7 m-30 -116.58 135.93 53.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.728 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -129.09 123.47 32.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.432 HG23 ' HB2' ' A' ' 77' ' ' CYS . 11.1 mt -95.1 137.86 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.499 ' CG2' HD11 ' A' ' 49' ' ' LEU . 0.5 OUTLIER -104.81 130.15 56.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.725 HD11 HG11 ' A' ' 27' ' ' VAL . 3.8 mm -127.01 151.31 33.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.583 1.177 . . . . 0.0 109.289 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.554 HG22 ' CD2' ' A' ' 71' ' ' HIS . 1.6 t -175.83 161.63 2.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 110.39 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.43 ' O ' ' CB ' ' A' ' 72' ' ' GLN . 1.4 mt-30 -38.51 -65.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.523 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.3 mt-30 -47.68 -60.8 2.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 110.339 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.554 ' CD2' HG22 ' A' ' 68' ' ' THR . 33.3 m-70 -43.06 -31.72 0.58 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.613 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.517 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 3.0 tt0 -63.63 -48.77 75.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.523 HD12 ' HA ' ' A' ' 70' ' ' GLN . 5.9 mt -60.68 -66.38 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.25 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -57.85 -22.52 48.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.634 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 71' ' ' HIS . 2.8 mtp180 63.39 42.26 6.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.2 p -137.56 143.42 41.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.959 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.432 ' HB2' HG23 ' A' ' 65' ' ' ILE . 1.9 p -118.88 174.97 5.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.08 . . . . 0.0 108.328 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 89' ' ' HIS . 31.7 m -114.91 112.45 22.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.437 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 99.3 t -89.89 110.62 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -112.71 114.2 26.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.567 HG12 ' CD1' ' A' ' 63' ' ' PHE . 27.5 mt -75.72 149.65 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 62' ' ' PRO . 13.8 mmt -113.54 -21.16 10.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -106.73 151.89 24.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 111.02 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 67.0 -172.96 28.73 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.456 1.098 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.754 HG23 ' HD2' ' A' ' 86' ' ' PRO . 2.5 m -38.77 146.51 0.31 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.489 0.758 . . . . 0.0 110.366 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.754 ' HD2' HG23 ' A' ' 85' ' ' THR . 18.3 Cg_endo -75.05 92.6 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.486 1.782 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -108.17 114.74 28.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -112.01 105.25 13.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.584 ' CE1' ' CD1' ' A' ' 100' ' ' LEU . 59.5 m-70 -88.95 111.34 21.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.591 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.1 mtm105 -102.92 132.04 49.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.28 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 58.87 94.46 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.407 1.067 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.466 ' CE ' ' HB3' ' A' ' 96' ' ' ASP . 12.6 mmm -141.49 134.9 14.47 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 140.05 25.1 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.473 1.775 . . . . 0.0 111.027 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -38.16 -62.96 0.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -39.9 -55.06 2.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.466 ' HB3' ' CE ' ' A' ' 92' ' ' MET . 0.2 OUTLIER -57.78 -59.03 5.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 109.274 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -45.48 -46.23 13.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.256 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.437 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 34.9 mmt -59.2 -31.26 68.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 111.037 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 96' ' ' ASP . 0.4 OUTLIER -82.5 -44.16 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.421 1.075 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.584 ' CD1' ' CE1' ' A' ' 89' ' ' HIS . 0.0 OUTLIER -64.35 -27.83 69.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.607 HG22 ' HE1' ' A' ' 36' ' ' MET . 0.6 OUTLIER -87.71 -47.53 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.267 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.465 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -63.28 -33.08 74.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.438 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 6.8 mmm180 -75.16 -62.02 1.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -50.57 -55.95 13.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.506 ' CE1' ' HD3' ' A' ' 109' ' ' LYS . 21.9 t80 -38.72 -56.57 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -43.75 -55.55 4.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 110' ' ' ASN . 2.1 ttt180 -64.27 -55.34 22.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -41.3 -43.92 2.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.506 ' HD3' ' CE1' ' A' ' 105' ' ' TYR . 0.3 OUTLIER -63.23 -46.11 88.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 107' ' ' ARG . 19.3 m-20 -49.86 -32.88 15.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -93.3 -23.85 18.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 20.5 t -68.19 -70.39 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 108.293 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.01 -60.68 0.99 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 71.24 -62.22 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.275 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -174.82 166.41 3.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.257 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.26 97.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.261 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 58.44 110.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.33 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -45.09 169.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.259 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -50.84 -37.93 46.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 3.5 mt -50.26 126.57 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -124.81 55.51 1.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -172.58 128.84 0.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.251 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -101.59 -58.91 1.79 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . 43.28 66.28 0.82 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 56.7 m 58.87 113.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.03 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -97.16 -162.23 31.85 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 111.044 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 168.98 23.63 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.474 1.776 . . . . 0.0 110.945 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.1 m 51.25 98.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.959 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.86 -57.52 0.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.0 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.455 1.097 . . . . 0.0 111.01 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -112.43 135.62 52.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 0.737 . . . . 0.0 109.965 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.7 -58.6 2.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.016 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.27 129.14 5.41 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -168.58 91.94 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 0.742 . . . . 0.0 109.992 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m -129.55 -56.86 1.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.007 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.16 176.66 32.49 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.441 1.088 . . . . 0.0 111.013 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 158.04 42.47 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.529 1.805 . . . . 0.0 110.996 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.3 t -138.62 122.77 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.6 -45.94 27.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.509 ' O ' HG13 ' A' ' 38' ' ' VAL . 14.0 t -148.97 108.19 3.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 108.292 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.49 126.71 36.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.0 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 90.4 t -87.49 129.0 39.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.745 HG21 ' CD2' ' A' ' 49' ' ' LEU . 2.8 mm -106.18 107.62 23.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -120.42 104.26 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.975 HG12 HD12 ' A' ' 43' ' ' LEU . 35.6 m -80.68 -31.07 12.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -79.64 135.49 36.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.415 ' CD ' ' HB3' ' A' ' 44' ' ' ASN . 1.6 tptt -92.44 21.02 5.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.82 -35.82 5.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.339 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.453 HG21 ' O ' ' A' ' 68' ' ' THR . 2.3 p -83.66 51.59 2.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.432 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.518 ' HE3' ' CZ ' ' A' ' 42' ' ' PHE . 11.3 tttt -84.34 -47.36 10.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -70.47 -22.73 62.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -86.37 -60.81 1.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.97 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.807 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -50.68 -43.03 57.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.809 ' HG2' HD22 ' A' ' 40' ' ' LEU . 33.2 mt-10 -59.14 -15.8 16.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 29' ' ' ARG . 5.8 t -84.86 -69.58 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.013 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.663 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -40.33 -31.14 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.709 ' HA2' HG11 ' A' ' 38' ' ' VAL . . . -74.01 -47.98 17.25 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 26' ' ' SER . 0.7 OUTLIER -65.87 -26.75 67.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.6 0.824 . . . . 0.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.0 mmtt -64.77 -39.73 94.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.96 ' HB ' HG21 ' A' ' 38' ' ' VAL . 71.9 t -72.75 -28.81 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -72.5 -31.93 65.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -60.24 -18.13 46.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.7 OUTLIER -90.73 -11.54 39.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.79 23.8 14.77 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.529 1.143 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.501 ' HB2' HG12 ' A' ' 31' ' ' VAL . 93.8 mtp -106.96 134.5 50.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 0.784 . . . . 0.0 111.03 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 51.2 t -67.07 122.12 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.96 HG21 ' HB ' ' A' ' 31' ' ' VAL . 60.2 t -130.77 150.33 34.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -139.6 168.21 20.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.809 HD22 ' HG2' ' A' ' 25' ' ' GLU . 1.2 mp -119.99 128.32 53.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.6 mt -112.58 105.81 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.518 ' CZ ' ' HE3' ' A' ' 21' ' ' LYS . 46.4 m-85 -92.66 126.94 37.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.975 HD12 HG12 ' A' ' 16' ' ' VAL . 2.9 mt -120.4 69.93 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.415 ' HB3' ' CD ' ' A' ' 18' ' ' LYS . 14.8 p-10 -94.6 89.39 5.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.601 HG22 ' O ' ' A' ' 45' ' ' THR . 16.6 m 58.47 50.97 8.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.403 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -129.56 -66.49 0.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.328 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.581 ' CG2' HD22 ' A' ' 43' ' ' LEU . 30.7 m -139.17 -178.62 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.138 . . . . 0.0 109.296 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.1 m -97.0 171.53 8.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.999 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.745 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.6 OUTLIER -56.49 -61.67 2.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.4 p -43.0 -50.87 5.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -42.83 -32.93 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.985 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -87.36 -42.17 13.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.441 ' HG ' HD22 ' A' ' 49' ' ' LEU . 48.3 mt -57.47 -32.73 67.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -66.5 -54.37 24.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 110.304 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.449 ' HA ' ' CD ' ' A' ' 58' ' ' ARG . 25.6 t0 -64.32 -27.16 68.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 109.286 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.985 HG23 ' O ' ' A' ' 52' ' ' ALA . 46.6 t -59.5 -65.24 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -61.6 2.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.072 . . . . 0.0 109.996 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.449 ' CD ' ' HA ' ' A' ' 55' ' ' ASP . 3.8 ptm180 -49.59 -36.59 24.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 55' ' ' ASP . . . -67.82 -24.85 74.28 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 115.48 -23.01 11.47 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.517 ' CB ' HG13 ' A' ' 56' ' ' VAL . 5.7 m -42.32 112.61 1.12 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.776 . . . . 0.0 110.036 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.422 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.3 Cg_endo -74.98 -44.21 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.48 1.779 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.562 ' CD1' HG12 ' A' ' 81' ' ' ILE . 10.7 m-30 -113.63 144.71 42.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.545 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -138.46 123.11 18.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.245 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.546 HG23 ' HB2' ' A' ' 77' ' ' CYS . 10.6 mt -94.91 141.15 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.43 ' CG1' ' HB ' ' A' ' 78' ' ' THR . 0.5 OUTLIER -104.41 126.95 59.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.807 HG21 ' HB2' ' A' ' 24' ' ' ALA . 6.3 mm -121.94 125.47 73.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.453 ' O ' HG21 ' A' ' 20' ' ' THR . 68.1 p -135.27 -161.13 1.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 110.434 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -79.23 -65.09 1.04 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.419 ' C ' ' N ' ' A' ' 72' ' ' GLN . 2.9 tp60 -53.03 -47.51 68.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.453 ' O ' ' N ' ' A' ' 75' ' ' ARG . 8.9 m170 -44.3 -26.87 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.59 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.419 ' N ' ' C ' ' A' ' 70' ' ' GLN . 2.0 tt0 -72.09 -54.62 9.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.0 mt -57.5 -38.34 62.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -85.13 -17.31 37.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.586 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 71' ' ' HIS . 3.7 mtp180 58.98 31.57 21.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.244 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.446 ' O ' ' CD2' ' A' ' 71' ' ' HIS . 1.1 p -123.21 147.14 47.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.952 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.546 ' HB2' HG23 ' A' ' 65' ' ' ILE . 1.4 p -122.9 175.51 6.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 108.292 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.475 HG23 ' O ' ' A' ' 89' ' ' HIS . 53.1 m -116.51 117.84 31.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.417 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.833 HG11 HD21 ' A' ' 100' ' ' LEU . 57.3 t -89.76 121.96 40.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -124.84 102.67 7.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.341 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.562 HG12 ' CD1' ' A' ' 63' ' ' PHE . 25.5 mt -72.41 146.55 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.422 ' N ' ' O ' ' A' ' 62' ' ' PRO . 9.3 mmt -110.03 -26.68 9.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.503 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -104.86 151.84 23.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.54 -156.66 51.19 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.689 HG23 ' HD2' ' A' ' 86' ' ' PRO . 1.4 m -62.15 144.52 94.39 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.767 . . . . 0.0 110.363 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.689 ' HD2' HG23 ' A' ' 85' ' ' THR . 18.3 Cg_endo -75.02 110.37 3.1 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 110.994 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -126.87 108.87 11.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.343 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -104.15 106.95 17.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.329 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.475 ' O ' HG23 ' A' ' 78' ' ' THR . 95.2 m-70 -97.06 110.04 22.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.608 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -91.72 132.96 36.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 110.349 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 54.88 92.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.404 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 17.0 mtp -125.96 136.61 28.71 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 92' ' ' MET . 18.3 Cg_endo -75.0 140.32 25.3 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.485 1.781 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -38.27 -67.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.267 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -38.67 -69.39 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.127 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 99' ' ' VAL . 0.7 OUTLIER -43.97 -56.38 3.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 109.327 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -47.79 -45.55 29.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 34.2 mmt -66.68 -24.98 66.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 111.042 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.459 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.4 OUTLIER -84.22 -47.25 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.833 HD21 HG11 ' A' ' 79' ' ' VAL . 0.1 OUTLIER -60.64 -29.76 69.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.488 ' O ' ' CB ' ' A' ' 105' ' ' TYR . 0.8 OUTLIER -84.85 -48.69 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.478 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -62.57 -26.69 68.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.459 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 3.1 mmm180 -82.58 -59.44 2.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -55.37 -52.6 62.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.357 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.504 ' CZ ' ' HD3' ' A' ' 109' ' ' LYS . 18.0 t80 -41.34 -50.14 3.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -49.1 -57.92 5.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.336 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.401 ' HA ' ' ND2' ' A' ' 110' ' ' ASN . 0.0 OUTLIER -52.38 -61.53 2.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.256 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -46.12 -24.79 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.504 ' HD3' ' CZ ' ' A' ' 105' ' ' TYR . 0.7 OUTLIER -85.63 -44.65 12.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.401 ' ND2' ' HA ' ' A' ' 107' ' ' ARG . 54.1 m-20 -48.42 -34.5 11.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -89.61 -25.69 21.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 0.0 110.303 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 13.7 t -72.6 -52.46 15.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 108.3 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.41 -39.59 3.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.52 -49.15 75.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -117.59 63.93 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -175.83 -53.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.364 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 25.0 mtt180 59.46 108.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.279 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -49.93 -179.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -123.23 23.99 8.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 84.2 mt -48.13 123.17 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -141.71 52.97 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.249 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.97 107.61 0.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.33 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.86 119.88 6.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -179.11 135.59 0.13 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.07 136.86 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.99 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 168.0 76.07 0.04 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.457 1.098 . . . . 0.0 111.042 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 175.82 10.71 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.481 1.779 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 29.3 p -175.52 164.91 3.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.009 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.83 155.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.981 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.537 1.148 . . . . 0.0 110.971 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -79.83 -58.39 3.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 110.043 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.76 155.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.6 -115.54 4.11 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.512 1.132 . . . . 0.0 111.035 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m 51.34 87.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 110.015 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.02 151.92 25.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.027 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.62 157.77 40.4 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 134.88 18.35 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.45 1.763 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.423 HG12 ' C ' ' A' ' 11' ' ' CYS . 84.1 t -134.04 114.28 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.248 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.02 -41.77 1.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.612 ' SG ' HD12 ' A' ' 65' ' ' ILE . 19.7 t -147.84 106.64 3.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 108.324 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.67 129.37 38.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.987 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.461 ' CG1' HG13 ' A' ' 67' ' ' ILE . 43.0 t -87.39 132.83 31.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.804 HG21 ' CD2' ' A' ' 49' ' ' LEU . 2.8 mm -112.7 113.5 44.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.61 HG22 ' O ' ' A' ' 17' ' ' ASN . 0.4 OUTLIER -126.16 100.98 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.546 ' CG1' HD12 ' A' ' 43' ' ' LEU . 8.2 m -77.5 -15.72 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.61 ' O ' HG22 ' A' ' 15' ' ' VAL . 33.3 m120 -92.76 152.91 19.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -104.46 6.3 34.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.7 tm0? -97.39 -39.38 9.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.1 p -84.97 54.35 3.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 110.399 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.412 ' HE3' ' CZ ' ' A' ' 42' ' ' PHE . 7.1 tttt -81.8 -50.55 9.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -70.53 -45.03 66.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -56.98 -57.24 13.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.867 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -57.78 -36.32 71.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.836 ' CG ' HD22 ' A' ' 40' ' ' LEU . 2.3 mt-10 -66.08 -9.73 33.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.346 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 29' ' ' ARG . 5.2 t -90.94 -71.06 0.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.007 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.674 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -41.52 -30.11 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.622 ' CA ' HG11 ' A' ' 38' ' ' VAL . . . -74.5 -46.66 18.7 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 111.055 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 26' ' ' SER . 16.5 ptt180 -66.25 -36.94 84.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 0.776 . . . . 0.0 110.299 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.417 ' N ' ' CG ' ' A' ' 29' ' ' ARG . 11.6 mmtt -54.1 -34.81 61.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.88 ' HB ' HG21 ' A' ' 38' ' ' VAL . 91.8 t -75.02 -26.49 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -74.69 -31.52 61.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -61.13 -18.79 59.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.7 OUTLIER -88.98 -11.85 43.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.078 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.12 21.16 21.29 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.531 1.144 . . . . 0.0 110.952 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.543 ' O ' HG23 ' A' ' 38' ' ' VAL . 96.0 mtp -104.89 134.98 47.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.7 t -65.55 121.57 14.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.88 HG21 ' HB ' ' A' ' 31' ' ' VAL . 34.9 t -128.62 153.29 37.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -146.8 167.6 23.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.836 HD22 ' CG ' ' A' ' 25' ' ' GLU . 1.3 mp -119.47 128.46 54.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.7 mt -114.78 105.19 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.412 ' CZ ' ' HE3' ' A' ' 21' ' ' LYS . 50.7 m-85 -89.52 130.16 35.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.546 HD12 ' CG1' ' A' ' 16' ' ' VAL . 0.6 OUTLIER -126.2 138.23 53.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -172.48 118.93 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.1 m 42.66 57.74 3.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.423 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -154.61 -66.89 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.7 m -139.95 171.66 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.8 t -97.89 169.43 9.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.974 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.804 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.8 OUTLIER -50.87 -59.83 3.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.98 -51.25 7.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.31 -34.18 1.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.295 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.562 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -85.48 -40.03 16.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.456 ' HG ' HD22 ' A' ' 49' ' ' LEU . 66.8 mt -58.85 -42.92 90.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -61.39 -28.63 69.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.457 ' HA ' ' CD ' ' A' ' 58' ' ' ARG . 10.6 t0 -83.58 -26.9 29.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.776 HG11 ' HB2' ' A' ' 64' ' ' ALA . 40.8 t -62.31 -44.06 98.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.32 -59.21 2.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.038 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.457 ' CD ' ' HA ' ' A' ' 55' ' ' ASP . 6.3 ptm180 -55.42 -33.86 63.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.264 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.412 ' N ' ' HG2' ' A' ' 58' ' ' ARG . . . -70.4 -32.12 68.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.545 1.153 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 123.68 -32.04 4.39 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.701 ' HB3' HG13 ' A' ' 56' ' ' VAL . 1.0 OUTLIER -39.15 115.9 0.99 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.458 0.74 . . . . 0.0 110.013 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.442 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.3 Cg_endo -74.99 -44.43 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.462 1.77 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.557 ' CE1' HG12 ' A' ' 81' ' ' ILE . 9.5 m-30 -113.08 153.1 28.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 111.027 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.776 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -143.23 126.57 16.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.612 HD12 ' SG ' ' A' ' 11' ' ' CYS . 4.7 mt -95.26 136.73 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.523 HG22 HD11 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -100.24 126.1 53.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.358 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.867 HG21 ' HB2' ' A' ' 24' ' ' ALA . 6.0 mm -122.74 121.96 64.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 69.2 p -129.99 -152.18 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.387 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -88.61 -64.18 1.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.271 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.699 ' HA ' HD12 ' A' ' 73' ' ' ILE . 5.4 mt-30 -54.21 -43.63 70.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.489 ' CD2' ' O ' ' A' ' 76' ' ' SER . 11.0 m170 -47.04 -26.52 1.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.647 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -74.86 -40.34 61.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.342 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.699 HD12 ' HA ' ' A' ' 70' ' ' GLN . 12.0 mt -66.53 -42.52 90.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -86.49 -14.91 41.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.571 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 71' ' ' HIS . 1.9 mtp180 58.6 36.63 25.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.357 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.489 ' O ' ' CD2' ' A' ' 71' ' ' HIS . 4.2 p -125.82 144.18 50.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.955 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.548 ' HB2' HG23 ' A' ' 65' ' ' ILE . 2.3 p -119.79 174.77 6.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 108.248 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.663 HG23 ' O ' ' A' ' 89' ' ' HIS . 25.2 m -116.23 116.53 27.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 110.42 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.574 HG11 HD21 ' A' ' 100' ' ' LEU . 59.0 t -90.04 118.26 34.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -118.32 109.98 16.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.557 HG12 ' CE1' ' A' ' 63' ' ' PHE . 29.4 mt -76.42 144.13 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 62' ' ' PRO . 3.6 mmt -111.48 -28.11 8.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.516 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -96.64 157.45 15.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.095 . . . . 0.0 110.976 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 59.05 -168.48 6.5 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.536 1.147 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.748 HG23 ' HD2' ' A' ' 86' ' ' PRO . 2.7 m -41.06 146.35 0.5 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.51 0.771 . . . . 0.0 110.438 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.748 ' HD2' HG23 ' A' ' 85' ' ' THR . 18.2 Cg_endo -75.0 91.61 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.507 1.793 . . . . 0.0 110.997 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -107.96 110.78 22.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -114.1 109.4 18.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.663 ' O ' HG23 ' A' ' 78' ' ' THR . 37.8 m-70 -91.65 132.61 36.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.592 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.4 mtm-85 -116.18 124.99 51.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.9 t30 62.42 95.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.474 ' CE ' ' HB3' ' A' ' 96' ' ' ASP . 15.9 mmm -136.48 137.37 23.92 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 111.027 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 92' ' ' MET . 18.4 Cg_endo -74.97 142.46 27.99 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.496 1.787 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -37.9 -70.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 110.333 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -37.31 -59.91 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.474 ' HB3' ' CE ' ' A' ' 92' ' ' MET . 0.5 OUTLIER -49.3 -58.64 4.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -48.51 -46.1 38.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.427 ' HE1' ' HA ' ' A' ' 94' ' ' GLN . 0.0 OUTLIER -60.91 -26.52 67.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -86.83 -45.37 16.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.574 HD21 HG11 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -63.47 -27.68 69.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.502 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.7 OUTLIER -85.33 -49.44 15.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.502 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -62.96 -34.72 78.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 -70.91 -67.27 0.52 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.12 . . . . 0.0 110.347 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -45.16 -54.08 7.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.502 ' CZ ' ' HE2' ' A' ' 109' ' ' LYS . 19.2 t80 -43.37 -57.71 2.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -41.34 -58.83 1.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.414 ' HA ' ' ND2' ' A' ' 110' ' ' ASN . 0.0 OUTLIER -62.1 -56.08 22.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 110.332 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -43.13 -42.61 4.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.502 ' HE2' ' CZ ' ' A' ' 105' ' ' TYR . 4.5 mtmt -65.62 -43.92 88.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.414 ' ND2' ' HA ' ' A' ' 107' ' ' ARG . 26.0 m-20 -50.2 -31.0 12.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -93.22 -25.43 17.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 18.1 t -71.16 -53.03 15.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 108.323 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 115' ' ' LYS . 0.1 OUTLIER -44.76 -48.02 10.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.21 92.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 113' ' ' ARG . 8.9 tttt -161.92 -66.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -147.75 130.27 15.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.275 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 116' ' ' GLU . 0.7 OUTLIER -35.05 105.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 110.285 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.779 ' OE1' HD12 ' A' ' 120' ' ' ILE . 1.1 tt0 -45.91 171.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.337 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -124.93 37.0 4.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.779 HD12 ' OE1' ' A' ' 118' ' ' GLU . 95.1 mt -105.71 145.65 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -125.73 65.76 1.18 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.19 122.85 24.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -156.76 93.82 1.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.269 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -124.84 169.34 12.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.06 133.38 3.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.014 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -98.7 110.68 4.06 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.11 . . . . 0.0 110.981 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -43.23 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.47 1.774 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.57 130.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.972 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 47.9 t -155.44 143.37 19.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.008 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.067 0 O-C-N 124.453 1.095 . . . . 0.0 110.983 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.2 m -118.54 -59.1 1.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 109.97 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.6 p 57.17 170.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.015 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.81 134.63 13.87 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.524 1.14 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t -119.76 154.77 33.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 110.013 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.2 p 175.6 -48.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.024 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.46 -166.67 23.76 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 133.77 17.03 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.461 1.769 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.483 HG12 ' O ' ' A' ' 11' ' ' CYS . 58.8 t -132.27 122.23 47.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.09 -47.69 11.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.483 ' O ' HG12 ' A' ' 9' ' ' VAL . 4.1 t -137.45 129.14 28.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 108.299 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.4 m -112.56 121.47 44.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.973 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.9 t -86.9 119.56 34.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.771 HG21 HD23 ' A' ' 49' ' ' LEU . 1.4 mm -103.48 105.25 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -112.57 97.21 5.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.775 HG12 HD12 ' A' ' 43' ' ' LEU . 10.7 m -76.74 68.86 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.345 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 167.55 169.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -116.53 24.22 11.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.14 -53.3 2.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 p -77.98 57.76 1.82 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 0.0 110.344 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.555 ' HE3' ' CZ ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -83.74 -55.29 4.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -61.67 -50.68 71.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.494 ' CE1' HG23 ' A' ' 67' ' ' ILE . 22.9 t80 -55.8 -59.83 4.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 111.013 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.424 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -53.09 -41.09 64.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.123 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.86 ' HG2' HD22 ' A' ' 40' ' ' LEU . 5.8 mt-10 -63.24 -11.77 23.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 29' ' ' ARG . 4.4 t -88.14 -70.61 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.552 HG11 HG21 ' A' ' 65' ' ' ILE . 0.3 OUTLIER -40.79 -31.69 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.775 ' HA2' HG11 ' A' ' 38' ' ' VAL . . . -73.91 -47.64 18.85 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.434 1.084 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 26' ' ' SER . 16.8 ptt85 -66.3 -26.18 67.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.771 . . . . 0.0 110.272 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -65.91 -41.84 90.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.855 ' HB ' HG21 ' A' ' 38' ' ' VAL . 95.4 t -68.81 -25.85 31.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.412 ' HG2' HG23 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -74.56 -32.48 62.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.346 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -62.69 -16.21 56.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 31' ' ' VAL . 1.0 OUTLIER -91.35 -11.52 37.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.91 29.78 8.37 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.114 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.548 ' O ' HG23 ' A' ' 38' ' ' VAL . 93.2 mtp -115.75 134.98 54.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 26.1 t -65.56 121.58 14.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.855 HG21 ' HB ' ' A' ' 31' ' ' VAL . 31.1 t -128.23 149.01 32.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -140.2 168.01 20.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.86 HD22 ' HG2' ' A' ' 25' ' ' GLU . 0.9 OUTLIER -121.94 128.03 51.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.252 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.529 ' CG2' HD21 ' A' ' 43' ' ' LEU . 23.7 mt -115.32 110.06 30.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.555 ' CZ ' ' HE3' ' A' ' 21' ' ' LYS . 55.6 m-85 -94.79 117.77 30.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.775 HD12 HG12 ' A' ' 16' ' ' VAL . 6.8 mt -108.94 133.62 52.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 45' ' ' THR . 9.2 p-10 -177.05 125.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 44' ' ' ASN . 5.3 p 37.02 42.63 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 110.419 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -142.47 -68.7 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.291 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.516 HG23 HD22 ' A' ' 43' ' ' LEU . 33.8 m -137.46 179.43 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.1 t -109.18 171.13 7.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.977 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.771 HD23 HG21 ' A' ' 14' ' ' ILE . 0.6 OUTLIER -50.46 -61.45 2.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.336 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.7 p -41.27 -53.34 3.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 110.023 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -42.01 -36.55 1.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.278 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.949 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -81.92 -42.21 19.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.454 ' HG ' HD22 ' A' ' 49' ' ' LEU . 56.6 mt -58.59 -38.95 79.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -62.82 -46.75 86.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.302 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -68.35 -29.25 67.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.949 HG23 ' O ' ' A' ' 52' ' ' ALA . 55.4 t -61.77 -54.42 34.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -62.98 1.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.017 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.76 -34.83 41.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -70.26 -31.41 68.89 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 122.25 -28.48 5.79 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.681 ' CB ' HG13 ' A' ' 56' ' ' VAL . 32.6 m -40.58 107.17 0.45 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.774 . . . . 0.0 110.012 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.412 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.3 Cg_endo -74.99 -35.33 3.2 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.469 1.773 . . . . 0.0 110.966 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.507 ' CE1' HG12 ' A' ' 81' ' ' ILE . 16.7 m-30 -114.36 145.35 41.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.95 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.61 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -141.96 124.03 15.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.552 HG21 HG11 ' A' ' 27' ' ' VAL . 10.0 mt -97.03 140.06 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.079 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.442 ' CG1' ' HB ' ' A' ' 78' ' ' THR . 0.7 OUTLIER -105.19 137.56 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.24 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.494 HG23 ' CE1' ' A' ' 23' ' ' TYR . 4.0 mm -128.01 153.26 37.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.085 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.572 HG22 ' CD2' ' A' ' 71' ' ' HIS . 2.0 t -173.82 159.39 3.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 110.397 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -39.17 -65.43 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 73' ' ' ILE . 0.0 OUTLIER -49.96 -59.21 4.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.242 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.572 ' CD2' HG22 ' A' ' 68' ' ' THR . 9.3 m-70 -40.35 -33.26 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 109.577 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -66.42 -50.29 63.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 70' ' ' GLN . 14.0 mt -57.99 -60.17 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -67.44 -10.25 49.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.594 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.4 mpp_? 54.13 38.74 29.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 0.0 110.344 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.429 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 0.9 OUTLIER -130.51 145.62 51.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.023 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.458 ' HB2' HG23 ' A' ' 65' ' ' ILE . 1.5 p -122.94 175.48 6.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 108.351 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.451 HG23 ' O ' ' A' ' 89' ' ' HIS . 15.9 m -115.56 115.56 26.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.417 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.475 HG11 HD21 ' A' ' 100' ' ' LEU . 58.4 t -90.44 128.19 42.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 -127.84 110.64 12.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.507 HG12 ' CE1' ' A' ' 63' ' ' PHE . 42.3 mt -78.13 144.27 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.412 ' N ' ' O ' ' A' ' 62' ' ' PRO . 11.1 mmt -106.75 -27.67 10.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.48 ' O ' ' CG2' ' A' ' 81' ' ' ILE . 0.3 OUTLIER -102.2 150.95 22.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 71.86 -171.4 47.87 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.462 1.101 . . . . 0.0 111.042 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.746 HG23 ' HD2' ' A' ' 86' ' ' PRO . 2.7 m -45.29 146.43 1.59 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.77 . . . . 0.0 110.404 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.746 ' HD2' HG23 ' A' ' 85' ' ' THR . 18.3 Cg_endo -74.97 100.1 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.52 1.8 . . . . 0.0 111.028 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -115.95 118.91 34.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -113.06 109.6 19.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.451 ' O ' HG23 ' A' ' 78' ' ' THR . 67.6 m-70 -91.93 117.66 30.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.569 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -107.3 126.7 52.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 47.8 t30 61.65 97.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 11.4 mmm -141.41 135.21 14.76 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 141.05 26.18 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.51 1.795 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -40.13 -66.94 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -37.61 -52.48 1.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 99' ' ' VAL . 0.3 OUTLIER -60.87 -56.76 17.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.286 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -47.24 -39.15 13.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.419 ' O ' HG12 ' A' ' 101' ' ' VAL . 31.1 mmt -66.98 -31.36 71.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 96' ' ' ASP . 0.4 OUTLIER -82.12 -40.82 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.475 HD21 HG11 ' A' ' 79' ' ' VAL . 0.1 OUTLIER -65.47 -29.38 70.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.486 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.6 OUTLIER -86.53 -49.04 15.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.486 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -60.51 -33.96 73.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 6.0 mmm180 -74.81 -68.48 0.54 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -44.63 -55.26 5.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.568 ' CE1' ' HD3' ' A' ' 109' ' ' LYS . 13.3 t80 -39.97 -56.87 1.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -43.84 -55.12 4.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -56.13 22.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.16 . . . . 0.0 110.328 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -42.76 -37.75 1.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.568 ' HD3' ' CE1' ' A' ' 105' ' ' TYR . 0.3 OUTLIER -70.55 -47.61 59.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.258 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 19.4 m-20 -47.22 -33.29 5.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -92.24 -25.48 18.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.318 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' CYS . . . . . 0.401 ' N ' ' O ' ' A' ' 109' ' ' LYS . 16.2 t -69.0 -58.1 4.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 108.307 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.47 -34.87 2.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.33 100.86 0.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 110.288 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.35 -179.03 5.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.38 74.21 1.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 3.9 mtp85 56.96 106.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.283 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -45.14 163.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.265 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -50.65 -24.16 3.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.161 . . . . 0.0 110.304 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 3.6 mt -69.67 147.93 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -130.76 69.8 1.46 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.35 102.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.55 144.49 28.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 110.329 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -150.47 132.64 15.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.1 m -117.17 133.79 55.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.148 . . . . 0.0 110.025 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -129.81 -135.26 3.85 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 158.03 42.22 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.469 1.773 . . . . 0.0 110.959 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.8 t -143.52 134.61 25.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.035 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 47.6 96.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.028 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.51 1.132 . . . . 0.0 111.015 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.28 118.66 15.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.767 . . . . 0.0 110.021 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.0 m -165.52 -56.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 110.003 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.26 -116.52 1.15 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.522 1.139 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.4 t -127.74 -63.2 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.762 . . . . 0.0 109.982 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.8 t -119.39 111.63 18.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.002 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.07 157.08 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.476 ' CG ' ' HA3' ' A' ' 60' ' ' GLY . 18.4 Cg_endo -74.98 53.85 3.45 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.536 1.808 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.406 ' O ' ' O ' ' A' ' 8' ' ' PRO . 75.3 t 60.6 147.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.419 ' HB2' ' N ' ' A' ' 37' ' ' VAL . 1.1 m-20 -96.94 -37.4 10.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.847 ' O ' HG13 ' A' ' 38' ' ' VAL . 0.7 OUTLIER -149.13 97.35 2.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 108.331 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.18 128.84 33.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.011 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.433 HG23 ' CG1' ' A' ' 38' ' ' VAL . 55.4 t -92.33 114.62 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.784 HG21 ' CD2' ' A' ' 49' ' ' LEU . 4.7 mm -89.96 110.15 21.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 41' ' ' ILE . 0.9 OUTLIER -123.52 103.79 13.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.543 HG12 ' CD1' ' A' ' 43' ' ' LEU . 6.1 m -79.8 -38.16 18.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -67.37 146.91 53.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.5 mmmt -101.25 5.24 42.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.24 -29.52 11.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 110.321 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.0 p -88.0 61.34 6.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.143 . . . . 0.0 110.372 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.575 ' HE3' ' CZ ' ' A' ' 42' ' ' PHE . 11.1 ttmt -86.54 -60.47 1.99 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -61.84 -53.56 54.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.56 ' CE2' ' HA ' ' A' ' 72' ' ' GLN . 2.9 t80 -47.35 -45.88 25.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 111.015 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.541 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -73.89 -38.34 64.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.28 -18.08 5.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 29' ' ' ARG . 5.8 t -87.71 -68.08 0.78 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 109.997 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.789 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -39.67 -33.0 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.798 ' HA2' HG11 ' A' ' 38' ' ' VAL . . . -74.17 -48.75 14.24 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 26' ' ' SER . 4.0 ptp180 -66.92 -27.66 67.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 0.791 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -63.01 -41.04 99.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.905 ' HB ' HG21 ' A' ' 38' ' ' VAL . 75.6 t -70.57 -25.6 27.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -75.07 -32.0 61.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.313 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -60.57 -19.1 56.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.7 OUTLIER -89.86 -11.33 42.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.96 29.2 8.73 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.521 ' O ' HG23 ' A' ' 38' ' ' VAL . 94.7 mtp -114.72 131.74 56.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 0.764 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.419 ' N ' ' HB2' ' A' ' 10' ' ' ASP . 40.2 t -65.52 122.66 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.905 HG21 ' HB ' ' A' ' 31' ' ' VAL . 39.9 t -127.69 146.92 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -133.85 168.33 18.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.17 123.43 40.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.431 ' O ' HG13 ' A' ' 15' ' ' VAL . 31.1 mt -107.99 104.74 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.575 ' CZ ' ' HE3' ' A' ' 21' ' ' LYS . 41.1 m-85 -90.62 114.37 26.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 110.978 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.543 ' CD1' HG12 ' A' ' 16' ' ' VAL . 0.5 OUTLIER -112.2 161.8 16.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.33 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -145.86 -62.62 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.4 m -131.29 -53.47 1.03 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.424 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.653 ' O ' HG22 ' A' ' 47' ' ' VAL . 13.5 mt-10 -41.37 129.01 3.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.653 HG22 ' O ' ' A' ' 46' ' ' GLU . 10.8 m 48.11 -155.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.418 ' N ' HG23 ' A' ' 47' ' ' VAL . 6.2 m -144.13 -179.66 6.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 110.001 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.784 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.1 OUTLIER -56.37 -59.96 4.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 53' ' ' LEU . 81.7 p -47.08 -51.72 17.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.039 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -47.5 -34.23 7.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 110.277 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 1.011 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -76.54 -34.25 58.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 50' ' ' SER . 29.5 mt -64.53 -54.15 36.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.268 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -56.22 -25.84 48.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.438 ' HA ' ' CD ' ' A' ' 58' ' ' ARG . 7.0 t70 -86.43 -25.32 25.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 1.011 HG23 ' O ' ' A' ' 52' ' ' ALA . 54.9 t -66.04 -61.67 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.8 t -52.5 -61.42 2.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.013 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.438 ' CD ' ' HA ' ' A' ' 55' ' ' ASP . 3.3 ptm180 -49.5 -33.86 15.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.96 -32.27 83.67 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.476 ' HA3' ' CG ' ' A' ' 8' ' ' PRO . . . 130.69 -46.49 1.07 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 60' ' ' GLY . 0.2 OUTLIER -36.96 117.15 0.74 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.463 0.743 . . . . 0.0 110.001 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -38.22 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.47 1.774 . . . . 0.0 110.96 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.566 ' CD1' HG12 ' A' ' 81' ' ' ILE . 17.2 m-30 -113.24 149.57 33.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.716 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -145.42 131.14 18.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.45 HG23 ' HB2' ' A' ' 77' ' ' CYS . 4.9 mt -94.97 150.92 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.437 ' CG1' ' HB ' ' A' ' 78' ' ' THR . 0.5 OUTLIER -115.04 123.94 71.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.789 HD11 HG11 ' A' ' 27' ' ' VAL . 4.6 mm -125.09 122.74 63.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 64.2 p -130.77 -149.77 0.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.408 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.04 -63.13 1.34 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.892 ' HA ' HD12 ' A' ' 73' ' ' ILE . 10.8 mt-30 -51.84 -45.11 63.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 76' ' ' SER . 12.1 m170 -48.63 -31.06 6.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.582 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.56 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 6.8 tt0 -67.8 -35.24 78.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.892 HD12 ' HA ' ' A' ' 70' ' ' GLN . 10.7 mt -70.02 -65.28 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -65.16 -18.34 65.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.565 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 71' ' ' HIS . 0.8 OUTLIER 62.55 49.33 4.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 110.314 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.59 ' O ' ' CD2' ' A' ' 71' ' ' HIS . 1.4 m -137.17 147.86 46.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.046 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.45 ' HB2' HG23 ' A' ' 65' ' ' ILE . 2.1 p -121.31 175.51 6.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 108.285 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.725 HG23 ' O ' ' A' ' 89' ' ' HIS . 36.5 m -118.29 121.71 41.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.393 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.55 HG11 HD21 ' A' ' 100' ' ' LEU . 97.7 t -89.91 111.52 23.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -110.16 119.7 40.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.566 HG12 ' CD1' ' A' ' 63' ' ' PHE . 32.1 mt -89.12 144.57 8.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.158 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.4 mmt -111.02 -28.43 8.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.965 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.567 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -91.73 152.61 20.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 58.79 -168.84 5.9 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.735 HG23 ' HD2' ' A' ' 86' ' ' PRO . 2.4 m -38.5 146.58 0.3 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.539 0.787 . . . . 0.0 110.367 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.735 ' HD2' HG23 ' A' ' 85' ' ' THR . 18.4 Cg_endo -74.96 88.3 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.477 1.777 . . . . 0.0 111.021 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -107.89 116.52 32.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -125.91 98.81 5.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.725 ' O ' HG23 ' A' ' 78' ' ' THR . 55.7 m80 -74.86 126.0 30.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.576 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.8 mtp85 -113.99 134.79 54.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 72.28 70.59 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.447 ' CE ' ' HB3' ' A' ' 96' ' ' ASP . 21.8 mmm -131.72 128.96 21.88 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 170.56 20.16 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.529 1.805 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -56.65 -66.15 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -37.79 -70.59 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.447 ' HB3' ' CE ' ' A' ' 92' ' ' MET . 0.2 OUTLIER -45.73 -57.92 3.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -45.21 -51.6 10.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.413 ' O ' HG12 ' A' ' 101' ' ' VAL . 27.5 mmt -57.72 -27.72 63.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 111.047 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.494 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.5 OUTLIER -84.21 -47.31 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.55 HD21 HG11 ' A' ' 79' ' ' VAL . 0.1 OUTLIER -61.58 -28.39 69.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.465 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.8 OUTLIER -85.49 -47.37 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.465 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -62.53 -41.44 98.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 0.2 OUTLIER -65.67 -71.24 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -40.68 -60.49 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.255 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.527 ' CE1' ' HD3' ' A' ' 109' ' ' LYS . 14.8 t80 -38.08 -60.68 0.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -40.71 -47.3 2.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 110' ' ' ASN . 0.0 OUTLIER -70.18 -61.19 1.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.373 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -38.83 -35.94 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.971 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.527 ' HD3' ' CE1' ' A' ' 105' ' ' TYR . 0.8 OUTLIER -67.57 -49.51 62.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 107' ' ' ARG . 0.3 OUTLIER -47.05 -39.22 12.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.407 ' N ' ' CG ' ' A' ' 110' ' ' ASN . 3.6 mm-40 -73.94 -29.34 61.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 110.256 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 109' ' ' LYS . 1.2 t -49.36 -64.31 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 108.29 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.99 -39.06 58.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -60.46 -49.2 78.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.96 81.96 1.82 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -106.51 -26.06 11.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 61.63 142.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -46.22 170.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.307 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -119.58 38.88 3.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 6.5 mt -46.21 146.68 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -158.76 -65.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 47.03 90.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -170.76 143.95 2.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . 44.49 74.43 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.82 124.73 20.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -163.39 150.85 20.04 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.554 1.159 . . . . 0.0 110.944 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 150.28 37.94 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.529 1.805 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 33.4 t -145.96 128.68 16.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.032 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 45.7 m -98.85 144.85 27.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.98 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.945 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.6 p -172.33 91.2 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 0.757 . . . . 0.0 110.014 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.46 144.29 48.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.989 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.35 98.04 1.65 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -168.95 78.33 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 0.771 . . . . 0.0 110.011 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.7 t 62.16 108.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.009 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.57 165.55 32.36 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.464 1.102 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 127.65 10.83 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.493 1.786 . . . . 0.0 110.954 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 10' ' ' ASP . 40.4 t -123.84 121.46 62.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 9' ' ' VAL . 0.4 OUTLIER -39.79 -46.89 2.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.452 ' O ' HG13 ' A' ' 38' ' ' VAL . 12.3 t -148.74 114.88 5.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 108.268 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.67 132.0 43.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.966 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.452 ' CG1' HG13 ' A' ' 67' ' ' ILE . 93.9 t -90.58 120.86 40.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.597 HG21 ' CD2' ' A' ' 49' ' ' LEU . 2.1 mm -102.46 107.57 22.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -116.25 97.88 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.863 HG12 HD12 ' A' ' 43' ' ' LEU . 30.0 m -72.3 -45.2 61.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -56.01 159.97 3.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.351 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.411 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 0.3 OUTLIER -114.05 40.14 2.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.17 -46.07 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 p -70.27 59.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.403 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -86.66 -57.47 2.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.94 -55.7 26.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -49.63 -56.11 11.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.556 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -56.65 -42.09 78.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.89 ' CG ' HD22 ' A' ' 40' ' ' LEU . 1.5 mt-10 -62.57 -11.95 19.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 29' ' ' ARG . 4.8 t -86.89 -68.86 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.017 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.703 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -43.74 -31.28 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.71 ' HA2' HG11 ' A' ' 38' ' ' VAL . . . -73.28 -42.46 42.41 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 26' ' ' SER . 9.8 ptt180 -72.55 -24.45 61.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 0.73 . . . . 0.0 110.284 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -68.7 -40.6 79.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.972 ' HB ' HG21 ' A' ' 38' ' ' VAL . 63.9 t -65.82 -27.0 40.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.5 mtt-85 -74.52 -32.96 62.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 110.246 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -60.36 -17.93 46.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.592 1.182 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.7 OUTLIER -90.89 -11.01 40.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.15 29.6 8.87 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.468 ' HG2' ' CE1' ' A' ' 105' ' ' TYR . 93.8 mtp -115.4 133.65 55.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.77 . . . . 0.0 111.004 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.3 t -65.81 121.37 14.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.972 HG21 ' HB ' ' A' ' 31' ' ' VAL . 60.1 t -131.55 150.19 33.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -142.37 168.33 20.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.89 HD22 ' CG ' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -117.87 126.96 53.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.117 . . . . 0.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.1 mt -113.2 107.47 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.425 ' CZ ' HD23 ' A' ' 40' ' ' LEU . 49.2 m-85 -94.65 121.16 35.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.863 HD12 HG12 ' A' ' 16' ' ' VAL . 14.1 mt -102.58 62.81 0.85 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -59.81 -63.82 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.1 m -147.89 78.72 1.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.375 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -132.74 -91.44 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.511 HG12 ' H ' ' A' ' 48' ' ' SER . 1.6 t -133.29 -144.77 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.511 ' H ' HG12 ' A' ' 47' ' ' VAL . 53.8 m -98.53 -179.18 4.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.981 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.597 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.5 OUTLIER -69.97 -57.47 4.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.0 p -42.68 -43.4 3.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 110.007 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -48.42 -39.23 21.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.768 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -72.8 -41.94 64.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 94.4 mt -59.83 -39.8 86.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -61.09 -30.98 70.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.28 -29.04 24.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 52' ' ' ALA . 75.9 t -62.32 -39.37 83.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -59.92 2.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.017 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.403 ' CG ' ' N ' ' A' ' 59' ' ' GLY . 0.2 OUTLIER -56.75 -36.49 69.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.403 ' N ' ' CG ' ' A' ' 58' ' ' ARG . . . -64.92 -32.22 83.5 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 122.83 -31.51 4.74 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.734 ' CB ' HG13 ' A' ' 56' ' ' VAL . 1.0 OUTLIER -39.41 110.63 0.63 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.51 0.771 . . . . 0.0 109.965 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.417 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.2 Cg_endo -74.99 -37.37 2.06 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.554 1.818 . . . . 0.0 111.005 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.462 ' CD1' HG12 ' A' ' 81' ' ' ILE . 11.4 m-30 -114.28 151.17 33.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.733 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -144.65 119.28 9.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.411 HG21 HG11 ' A' ' 27' ' ' VAL . 9.3 mt -94.93 131.65 41.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.412 ' CG2' HD11 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -99.17 135.24 35.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.703 HD11 HG11 ' A' ' 27' ' ' VAL . 3.7 mm -128.62 154.84 40.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.54 HG22 ' CD2' ' A' ' 71' ' ' HIS . 1.6 t -174.92 159.56 2.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.378 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.426 ' O ' ' CB ' ' A' ' 72' ' ' GLN . 0.0 OUTLIER -38.99 -65.31 0.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.14 -57.46 5.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.54 ' CD2' HG22 ' A' ' 68' ' ' THR . 15.0 m-70 -43.29 -29.62 0.43 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 109.602 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.426 ' CB ' ' O ' ' A' ' 69' ' ' GLN . 8.2 tt0 -66.36 -49.59 66.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.336 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 12.4 mt -60.35 -58.08 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -69.82 -9.83 56.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.622 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 71' ' ' HIS . 2.9 mtp180 50.47 41.37 25.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.457 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 34.5 p -132.41 145.24 51.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.978 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.417 ' HB3' HD13 ' A' ' 67' ' ' ILE . 1.6 p -122.65 175.49 6.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 108.287 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 55.3 m -115.06 113.05 23.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.379 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.565 HG11 HD21 ' A' ' 100' ' ' LEU . 60.9 t -90.2 119.63 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -122.62 114.09 20.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.462 HG12 ' CD1' ' A' ' 63' ' ' PHE . 36.2 mt -78.46 148.81 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.417 ' N ' ' O ' ' A' ' 62' ' ' PRO . 7.5 mmt -114.39 -21.34 10.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -103.4 150.06 24.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.5 -161.39 50.86 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.463 1.102 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.749 HG23 ' HD2' ' A' ' 86' ' ' PRO . 2.5 m -51.02 146.58 10.38 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.518 0.775 . . . . 0.0 110.428 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.749 ' HD2' HG23 ' A' ' 85' ' ' THR . 18.2 Cg_endo -75.01 95.37 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.489 1.783 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -110.61 114.78 28.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.312 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -113.49 109.81 19.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.29 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -93.39 115.65 28.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.606 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 61.7 mtt180 -102.92 126.45 50.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 62.1 98.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.421 ' CE ' ' HB3' ' A' ' 96' ' ' ASP . 10.3 mmm -142.33 137.46 15.62 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 92' ' ' MET . 18.1 Cg_endo -75.03 138.38 22.88 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.452 1.764 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.443 ' CG ' HG23 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -37.92 -62.44 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -39.39 -60.58 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 99' ' ' VAL . 0.9 OUTLIER -52.87 -58.03 8.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -46.26 -48.86 17.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 34.9 mmt -57.87 -26.89 62.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' A' ' 96' ' ' ASP . 0.4 OUTLIER -86.89 -45.65 16.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.565 HD21 HG11 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -61.48 -27.74 68.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.502 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.7 OUTLIER -85.3 -49.48 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.502 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -62.32 -33.8 75.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.419 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 2.2 mmm180 -73.32 -66.58 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -46.67 -48.05 20.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.517 ' CZ ' ' HD3' ' A' ' 109' ' ' LYS . 34.5 t80 -50.09 -54.83 17.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -43.63 -52.61 6.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 110' ' ' ASN . 0.0 OUTLIER -59.75 -59.36 5.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -46.22 -25.64 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.98 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.517 ' HD3' ' CZ ' ' A' ' 105' ' ' TYR . 0.9 OUTLIER -83.83 -38.61 21.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 107' ' ' ARG . 74.6 m-20 -52.14 -22.58 4.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -72.12 -26.29 62.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 7.1 t -56.55 -50.28 72.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 108.323 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -72.37 -50.5 26.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -133.11 92.15 2.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -79.62 124.01 28.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 117' ' ' ARG . 5.5 tm-20 -171.36 80.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 116' ' ' GLU . 1.9 mpt_? -35.48 107.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -44.7 166.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.268 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -116.93 37.82 3.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 71.4 mt -101.69 124.83 55.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 56.91 164.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -179.7 89.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.254 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -90.54 141.85 28.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.108 . . . . 0.0 110.321 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -157.19 -57.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.4 m -58.86 -59.79 4.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.992 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -46.53 -86.42 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 116.73 4.67 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.551 1.816 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 88.1 p -100.66 134.94 42.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.0 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 9.4 t 65.92 158.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.013 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.457 1.098 . . . . 0.0 111.038 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.73 -61.86 2.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 0.745 . . . . 0.0 110.025 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.4 p -48.94 123.85 7.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.021 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.67 -57.19 2.1 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 t -52.46 -56.64 13.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 0.785 . . . . 0.0 110.015 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 m -57.84 165.31 1.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.143 . . . . 0.0 109.973 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.52 -160.87 6.49 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.48 1.112 . . . . 0.0 110.966 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 170.95 19.28 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.502 1.791 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 87.1 t -113.47 109.72 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.64 -44.16 2.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.641 ' O ' HG13 ' A' ' 38' ' ' VAL . 4.9 t -149.21 103.38 3.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 108.313 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 m -89.49 136.17 33.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.996 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.432 HG21 ' CA ' ' A' ' 28' ' ' GLY . 94.9 t -94.45 121.14 44.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.704 HG21 ' CD2' ' A' ' 49' ' ' LEU . 3.7 mm -100.49 116.07 43.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -129.55 97.96 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.935 HG12 HD12 ' A' ' 43' ' ' LEU . 15.9 m -78.4 63.7 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.422 1.076 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.5 m120 168.62 178.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -114.72 -36.54 4.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.4 -44.96 2.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.473 HG21 ' O ' ' A' ' 68' ' ' THR . 1.5 p -93.94 60.1 2.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.376 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.11 -38.67 14.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -79.87 -57.82 3.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.58 ' CE2' ' HA ' ' A' ' 72' ' ' GLN . 2.2 t80 -44.85 -43.44 8.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.403 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -73.83 -34.96 64.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.77 -15.13 18.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 29' ' ' ARG . 5.7 t -89.54 -69.03 0.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.001 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.642 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -39.56 -32.25 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.254 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.575 ' HA2' HG11 ' A' ' 38' ' ' VAL . . . -76.95 -47.77 9.12 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 0.0 111.054 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 26' ' ' SER . 0.9 OUTLIER -67.86 -21.71 65.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 110.312 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -69.34 -36.66 77.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.349 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.959 ' HB ' HG21 ' A' ' 38' ' ' VAL . 75.8 t -74.54 -26.87 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.167 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.2 mtm180 -74.69 -31.98 62.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.155 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -61.45 -16.91 51.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.552 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.8 OUTLIER -91.68 -10.06 41.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.58 26.57 13.1 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.5 ' HB2' HG12 ' A' ' 31' ' ' VAL . 95.1 mtp -111.27 134.81 52.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.77 . . . . 0.0 110.981 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 49.0 t -65.71 127.01 26.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.959 HG21 ' HB ' ' A' ' 31' ' ' VAL . 96.7 t -136.44 150.35 27.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -140.18 167.94 20.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.72 124.32 48.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.4 mt -109.61 107.32 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.264 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -93.07 126.58 38.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.935 HD12 HG12 ' A' ' 16' ' ' VAL . 0.7 OUTLIER -126.38 102.7 7.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -136.81 93.23 2.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.3 m 66.97 70.57 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.376 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -163.81 -69.38 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.329 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 24.7 m -134.82 -176.66 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.5 m -105.72 169.82 8.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.033 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.704 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.7 OUTLIER -52.99 -59.08 4.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 53' ' ' LEU . 0.6 OUTLIER -44.61 -52.87 7.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.974 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -42.62 -33.91 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.582 1.176 . . . . 0.0 110.335 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.691 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -82.12 -42.08 19.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.457 ' HG ' HD22 ' A' ' 49' ' ' LEU . 62.7 mt -58.17 -52.88 63.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -48.96 -29.18 4.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -85.17 -35.27 21.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.093 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 52' ' ' ALA . 71.8 t -57.86 -47.0 87.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.06 -64.06 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.429 ' CG ' ' N ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -50.96 -38.07 48.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.274 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.429 ' N ' ' CG ' ' A' ' 58' ' ' ARG . . . -62.4 -31.66 80.23 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.461 1.101 . . . . 0.0 110.971 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.22 -23.17 9.97 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.682 ' CB ' HG13 ' A' ' 56' ' ' VAL . 0.4 OUTLIER -39.21 116.75 1.06 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.556 0.798 . . . . 0.0 110.01 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.524 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 18.4 Cg_endo -75.0 -46.52 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.419 1.747 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.416 ' N ' ' CD1' ' A' ' 63' ' ' PHE . 4.5 m-30 -116.25 150.44 37.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.607 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -141.86 128.22 19.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.108 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.524 HG23 ' HB2' ' A' ' 77' ' ' CYS . 21.0 mt -96.48 137.47 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.503 ' CG2' HD11 ' A' ' 49' ' ' LEU . 0.5 OUTLIER -102.8 129.0 55.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.642 HD11 HG11 ' A' ' 27' ' ' VAL . 4.1 mm -126.52 158.37 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.685 HG23 ' N ' ' A' ' 69' ' ' GLN . 9.7 t -172.88 -147.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 110.408 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.685 ' N ' HG23 ' A' ' 68' ' ' THR . 0.6 OUTLIER -86.39 -63.96 1.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.49 ' HA ' HD12 ' A' ' 73' ' ' ILE . 1.2 tp60 -51.66 -56.63 12.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.453 ' CD2' HG22 ' A' ' 68' ' ' THR . 24.0 m-70 -41.35 -32.79 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.585 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.58 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 10.2 tt0 -64.47 -50.79 66.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.49 HD12 ' HA ' ' A' ' 70' ' ' GLN . 6.8 mt -62.34 -63.91 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 44.3 m80 -58.38 -19.3 34.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.608 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 60.87 37.92 18.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.257 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.418 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 1.3 p -131.48 143.76 50.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.524 ' HB2' HG23 ' A' ' 65' ' ' ILE . 1.9 p -122.82 172.17 8.65 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 108.295 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.782 HG23 ' O ' ' A' ' 89' ' ' HIS . 13.0 m -112.87 115.57 28.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 110.361 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 80.5 t -90.2 116.07 30.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -111.99 125.42 54.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.69 HG23 ' CD2' ' A' ' 83' ' ' PHE . 16.5 mt -89.38 146.3 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 62' ' ' PRO . 9.8 mmt -117.45 -30.82 5.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.69 ' CD2' HG23 ' A' ' 81' ' ' ILE . 4.9 p90 -67.07 -179.16 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.964 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.478 ' N ' ' CD1' ' A' ' 83' ' ' PHE . . . -38.53 159.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.135 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 34.0 m 57.59 112.45 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.773 . . . . 0.0 110.387 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 114.18 3.97 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.786 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.536 ' CB ' HD12 ' A' ' 81' ' ' ILE . 3.4 mm-40 -128.16 126.99 42.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -132.88 114.99 14.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 110.287 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.782 ' O ' HG23 ' A' ' 78' ' ' THR . 18.9 m-70 -106.16 125.59 51.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.574 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.1 mtp85 -108.69 124.67 50.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 26.4 t30 59.94 97.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.412 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 16.4 mmm -135.73 140.57 34.1 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 92' ' ' MET . 18.3 Cg_endo -74.99 136.36 20.31 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.525 1.803 . . . . 0.0 110.96 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.609 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 0.0 OUTLIER -38.25 -65.81 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 98' ' ' MET . . . -40.11 -71.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -46.16 -41.93 13.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.265 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 94' ' ' GLN . . . -56.86 -41.35 77.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 95' ' ' ALA . 32.0 mmt -65.43 -24.76 67.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 111.038 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.415 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.4 OUTLIER -86.52 -46.07 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.411 1.07 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.401 HD11 ' CD2' ' A' ' 89' ' ' HIS . 0.1 OUTLIER -61.69 -28.18 69.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.484 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.8 OUTLIER -85.24 -48.22 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.484 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -62.4 -30.81 71.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.415 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 6.5 mmm180 -76.3 -67.0 0.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.259 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -43.01 -59.1 2.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -40.13 -61.99 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -39.6 -55.33 1.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.241 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 110' ' ' ASN . 0.0 OUTLIER -66.94 -62.51 1.4 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.524 ' CE1' ' HB3' ' A' ' 62' ' ' PRO . 1.2 t80 -40.83 -28.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 112' ' ' CYS . 1.4 mtmt -75.5 -48.28 23.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 107' ' ' ARG . 0.5 OUTLIER -46.2 -40.05 10.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.429 ' N ' ' CG ' ' A' ' 110' ' ' ASN . 5.8 mm-40 -78.29 -28.2 47.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' CYS . . . . . 0.454 ' N ' ' O ' ' A' ' 109' ' ' LYS . 19.4 t -65.47 -64.94 0.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 108.306 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -44.83 -53.37 7.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.86 80.95 4.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.266 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.36 -177.87 6.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.48 101.71 0.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 60.1 109.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -43.69 164.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -104.52 37.09 2.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.48 ' HA ' HD13 ' A' ' 120' ' ' ILE . 7.0 mm -40.38 136.17 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.122 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -144.63 78.02 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.89 120.73 28.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.311 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -114.91 144.81 42.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -119.59 96.78 5.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.5 -59.15 5.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.938 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 130.05 -167.56 21.71 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.472 1.108 . . . . 0.0 110.981 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 152.69 41.08 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.506 1.793 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 14.0 t -155.4 146.49 22.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.962 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.65 103.89 2.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.968 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.5 -59.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 0.735 . . . . 0.0 110.02 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -101.45 160.31 14.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.98 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.18 -81.94 0.89 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.116 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.5 p -104.78 136.19 44.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.75 . . . . 0.0 109.982 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 t -148.05 -58.58 0.24 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.995 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.62 178.62 15.58 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.566 1.166 . . . . 0.0 111.0 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 141.97 27.09 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.457 1.767 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 10' ' ' ASP . 17.8 t -119.56 107.94 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -40.55 -51.81 2.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.287 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.608 ' O ' HG13 ' A' ' 38' ' ' VAL . 5.7 t -140.0 104.32 4.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 108.302 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.72 130.48 36.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.023 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.443 ' CG1' HG13 ' A' ' 67' ' ' ILE . 58.7 t -90.98 127.8 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.7 HG21 HD23 ' A' ' 49' ' ' LEU . 3.5 mm -106.99 114.76 46.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.526 HG22 ' O ' ' A' ' 17' ' ' ASN . 0.8 OUTLIER -125.71 101.31 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.611 HG12 HD12 ' A' ' 43' ' ' LEU . 26.8 m -75.55 -27.97 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.526 ' O ' HG22 ' A' ' 15' ' ' VAL . 0.4 OUTLIER -84.15 135.87 34.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -92.55 26.23 2.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.245 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -116.03 -39.67 3.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 110.329 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.7 p -83.25 57.39 3.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.433 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.469 ' HE3' ' CZ ' ' A' ' 42' ' ' PHE . 4.1 tttt -79.43 -56.24 4.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.38 -51.57 59.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.629 ' CE1' HG23 ' A' ' 67' ' ' ILE . 1.9 t80 -49.08 -44.13 41.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.564 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -75.05 -36.88 61.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.68 -16.17 9.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.597 1.186 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' ARG . 8.6 t -87.93 -68.43 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.016 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.829 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -39.55 -33.63 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.786 ' HA2' HG11 ' A' ' 38' ' ' VAL . . . -74.38 -48.53 13.94 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.488 1.117 . . . . 0.0 110.941 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 26' ' ' SER . 3.0 ptt180 -67.09 -28.97 68.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 0.768 . . . . 0.0 110.303 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -61.08 -39.61 90.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.854 ' HB ' HG21 ' A' ' 38' ' ' VAL . 74.6 t -72.26 -26.89 25.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -74.02 -32.21 63.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.296 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -60.25 -17.3 40.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 31' ' ' VAL . 1.1 mt -91.83 -10.92 38.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.37 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.74 25.76 12.83 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.126 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.537 ' O ' HG23 ' A' ' 38' ' ' VAL . 97.0 mtp -109.49 135.72 50.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 0.766 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.9 t -65.74 121.98 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.854 HG21 ' HB ' ' A' ' 31' ' ' VAL . 36.6 t -129.07 148.7 33.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.44 174.84 10.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.508 HD23 ' CZ ' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -129.64 121.57 27.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.287 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 34.9 mt -107.92 102.1 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.508 ' CZ ' HD23 ' A' ' 40' ' ' LEU . 45.8 m-85 -86.88 132.49 33.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.611 HD12 HG12 ' A' ' 16' ' ' VAL . 0.5 OUTLIER -126.85 146.33 50.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -174.99 118.33 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 27.3 m 39.05 32.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.396 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -121.41 -67.1 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.298 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.537 HG23 HD22 ' A' ' 43' ' ' LEU . 34.0 m -138.04 175.06 9.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.7 t -100.85 160.68 14.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.998 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.7 HD23 HG21 ' A' ' 14' ' ' ILE . 0.5 OUTLIER -43.75 -64.33 0.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -41.73 -50.77 4.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.022 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -42.08 -35.66 0.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.816 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -83.22 -40.78 19.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.273 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.477 ' HG ' HD22 ' A' ' 49' ' ' LEU . 36.3 mt -59.46 -42.81 92.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -59.31 -33.5 71.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -81.89 -30.33 31.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.861 HG11 ' HB2' ' A' ' 64' ' ' ALA . 64.7 t -60.38 -42.64 91.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.78 -61.3 1.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.435 ' CG ' ' N ' ' A' ' 59' ' ' GLY . 5.9 ptt180 -54.28 -37.81 65.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.435 ' N ' ' CG ' ' A' ' 58' ' ' ARG . . . -62.02 -32.0 80.67 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 61' ' ' SER . . . 117.94 -25.67 8.29 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.523 ' CB ' HG13 ' A' ' 56' ' ' VAL . 0.4 OUTLIER -38.85 116.41 0.97 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.462 0.742 . . . . 0.0 109.973 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.561 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 18.3 Cg_endo -75.04 -42.68 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.494 1.786 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.6 m-30 -117.04 146.98 42.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.861 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -141.58 122.87 14.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 19.8 mt -95.2 139.36 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.341 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.532 HG22 HD11 ' A' ' 49' ' ' LEU . 1.0 OUTLIER -103.99 127.55 58.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.829 HD11 HG11 ' A' ' 27' ' ' VAL . 5.0 mm -124.06 150.9 28.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.689 HG22 ' CD2' ' A' ' 71' ' ' HIS . 2.0 t -175.46 163.09 2.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.366 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.16 -54.83 18.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.577 ' HA ' HD12 ' A' ' 73' ' ' ILE . 20.1 tt0 -55.9 -30.13 61.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.342 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.689 ' CD2' HG22 ' A' ' 68' ' ' THR . 17.6 m-70 -77.73 -17.9 57.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.62 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.544 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 8.5 tt0 -78.73 -30.98 46.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.323 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.577 HD12 ' HA ' ' A' ' 70' ' ' GLN . 18.9 mt -69.79 -50.85 45.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -79.12 -15.36 58.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.135 . . . . 0.0 109.601 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 61.88 32.01 18.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 82.5 p -129.26 149.96 50.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 110.012 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.514 ' HB3' HD13 ' A' ' 67' ' ' ILE . 1.8 p -123.57 173.79 7.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 108.3 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.635 HG23 ' O ' ' A' ' 89' ' ' HIS . 8.8 m -111.02 120.73 43.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.094 . . . . 0.0 110.427 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.903 HG11 HD21 ' A' ' 100' ' ' LEU . 59.2 t -90.43 129.66 40.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -131.58 124.32 29.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.644 HD12 ' CB ' ' A' ' 87' ' ' GLN . 14.8 mt -91.44 148.24 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 62' ' ' PRO . 5.8 mmt -116.8 -29.24 6.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 111.051 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.642 ' CD2' HG23 ' A' ' 81' ' ' ILE . 2.5 p90 -70.85 178.44 3.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.48 ' N ' ' CD1' ' A' ' 83' ' ' PHE . . . -38.99 159.47 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.5 m 59.72 114.0 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.477 0.751 . . . . 0.0 110.377 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 129.43 12.33 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.487 1.782 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.644 ' CB ' HD12 ' A' ' 81' ' ' ILE . 3.6 mm100 -145.85 120.37 9.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -133.23 121.95 23.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.321 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.635 ' O ' HG23 ' A' ' 78' ' ' THR . 74.8 m-70 -118.22 122.5 43.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.612 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.7 mtm180 -94.02 137.99 32.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 41.36 85.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.487 ' SD ' ' CB ' ' A' ' 89' ' ' HIS . 5.7 mtp -112.86 142.91 28.06 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.416 ' HG2' ' CB ' ' A' ' 96' ' ' ASP . 18.4 Cg_endo -75.06 131.37 14.15 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.496 1.787 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.515 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 0.0 OUTLIER -37.71 -63.77 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -41.34 -70.07 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.416 ' CB ' ' HG2' ' A' ' 93' ' ' PRO . 49.7 t0 -47.38 -44.21 24.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 94' ' ' GLN . . . -55.88 -43.25 77.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.406 ' O ' HG12 ' A' ' 101' ' ' VAL . 32.6 mmt -64.7 -24.56 67.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.489 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.4 OUTLIER -86.47 -45.34 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.903 HD21 HG11 ' A' ' 79' ' ' VAL . 0.1 OUTLIER -60.76 -29.61 69.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.494 HG22 ' HE1' ' A' ' 36' ' ' MET . 0.8 OUTLIER -83.73 -47.38 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.468 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -64.09 -17.02 63.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.489 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 8.6 mmm180 -92.99 -63.14 1.25 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -49.62 -54.99 15.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.487 ' CZ ' ' HE2' ' A' ' 109' ' ' LYS . 8.5 t80 -39.2 -52.94 1.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.956 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -48.82 -54.42 15.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.342 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 110' ' ' ASN . 0.0 OUTLIER -62.6 -63.22 1.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.349 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.561 ' CE1' ' HB3' ' A' ' 62' ' ' PRO . 1.9 t80 -39.42 -40.89 0.88 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.487 ' HE2' ' CZ ' ' A' ' 105' ' ' TYR . 2.8 mtmt -65.48 -48.1 73.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 107' ' ' ARG . 39.3 m-20 -46.53 -33.62 4.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -91.65 -27.08 18.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 109' ' ' LYS . 8.5 t -59.34 -68.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 108.312 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.23 -45.49 2.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.33 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.99 83.44 5.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.95 -171.06 2.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -57.74 167.76 1.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 116' ' ' GLU . 23.2 mtm180 -35.44 108.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 110.316 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -41.12 158.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.265 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.84 37.57 1.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.331 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.477 ' HA ' HD13 ' A' ' 120' ' ' ILE . 7.2 mm -40.63 117.86 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -159.15 164.6 35.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -79.04 121.97 25.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.451 ' O ' ' HB3' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -133.9 151.78 51.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.29 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 123' ' ' GLN . . . 68.67 115.86 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.76 106.91 16.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.008 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 74.84 115.98 0.09 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.492 1.12 . . . . 0.0 110.955 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 68.76 5.69 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.493 1.786 . . . . 0.0 111.033 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 47.4 t -168.2 154.18 7.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.142 . . . . 0.0 109.973 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 9.8 p -164.88 119.81 1.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.975 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 179.969 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 p -176.9 147.99 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 110.017 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.62 -58.76 4.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.9 67.35 0.29 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.518 1.136 . . . . 0.0 110.955 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 49.59 96.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.418 0.716 . . . . 0.0 109.964 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.91 -51.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.981 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.1 156.56 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 147.48 33.87 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.439 1.758 . . . . 0.0 111.013 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 62.4 t -127.04 119.41 52.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -42.98 -45.97 5.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.65 ' O ' HG13 ' A' ' 38' ' ' VAL . 14.1 t -149.03 108.64 4.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 108.331 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.0 135.22 36.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.037 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.435 ' CG1' HG13 ' A' ' 67' ' ' ILE . 75.8 t -92.91 125.67 45.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.662 HG21 ' CD2' ' A' ' 49' ' ' LEU . 1.8 mm -105.57 109.23 27.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.1 p -117.84 101.84 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.667 HG12 HD12 ' A' ' 43' ' ' LEU . 30.4 m -75.51 -37.33 37.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.55 126.12 29.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tptp -85.68 49.46 1.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -142.12 -49.66 0.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.478 HG21 ' HB2' ' A' ' 72' ' ' GLN . 1.2 p -69.72 60.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.433 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -81.96 -68.38 0.7 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -47.83 -55.62 9.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.562 ' HE1' HG23 ' A' ' 67' ' ' ILE . 29.3 t80 -51.59 -62.04 1.87 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.576 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -52.18 -41.62 62.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.875 ' CG ' HD22 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -63.02 -11.64 20.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.353 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 29' ' ' ARG . 2.8 t -87.3 -68.47 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.004 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.622 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -47.93 -28.91 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.544 ' O ' HG11 ' A' ' 38' ' ' VAL . . . -75.22 -33.9 52.8 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.461 1.101 . . . . 0.0 111.03 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 26' ' ' SER . 12.3 ptt180 -81.87 -31.01 31.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 110.318 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -59.57 -31.54 69.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.968 ' HB ' HG21 ' A' ' 38' ' ' VAL . 94.3 t -76.04 -27.42 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -74.04 -31.99 63.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.267 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -60.56 -19.28 56.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.545 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.6 OUTLIER -89.1 -11.01 45.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.72 23.69 17.7 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.454 1.096 . . . . 0.0 111.001 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.479 ' HB2' HG12 ' A' ' 31' ' ' VAL . 96.3 mtp -107.33 133.3 52.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.757 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 19.7 t -65.68 117.47 6.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.968 HG21 ' HB ' ' A' ' 31' ' ' VAL . 61.3 t -129.72 148.14 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -140.4 167.91 21.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.875 HD22 ' CG ' ' A' ' 25' ' ' GLU . 0.8 OUTLIER -115.38 127.94 55.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.1 mt -113.84 108.81 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -93.32 132.7 37.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.667 HD12 HG12 ' A' ' 16' ' ' VAL . 11.9 mt -122.62 -138.47 0.31 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.458 ' O ' ' CB ' ' A' ' 45' ' ' THR . 1.7 t-20 78.14 108.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.364 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.458 ' CB ' ' O ' ' A' ' 44' ' ' ASN . 2.8 m 80.29 -52.89 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 110.415 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -45.94 -70.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.329 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.447 HG11 ' HG2' ' A' ' 51' ' ' GLN . 1.3 t -145.05 -143.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.359 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 63.0 m -122.28 177.11 5.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.972 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.662 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.9 OUTLIER -63.91 -58.93 5.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.274 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 53' ' ' LEU . 94.0 p -38.44 -54.2 1.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.997 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.447 ' HG2' HG11 ' A' ' 47' ' ' VAL . 4.3 tp60 -39.77 -42.78 1.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.91 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -77.35 -42.63 35.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.488 ' HG ' HD22 ' A' ' 49' ' ' LEU . 45.3 mt -57.95 -32.58 67.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -66.01 -47.38 74.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.443 ' OD1' ' NH1' ' A' ' 58' ' ' ARG . 5.7 t70 -70.36 -20.07 63.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.91 HG23 ' O ' ' A' ' 52' ' ' ALA . 70.0 t -71.14 -40.67 75.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -50.67 8.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.994 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.443 ' NH1' ' OD1' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -64.23 -36.54 84.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.416 ' N ' ' HG2' ' A' ' 58' ' ' ARG . . . -66.66 -29.53 74.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.562 1.164 . . . . 0.0 111.031 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.35 -19.95 11.45 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.754 ' HB3' HG13 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -43.72 111.03 1.04 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.53 0.782 . . . . 0.0 109.978 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.427 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.3 Cg_endo -74.99 -37.5 2.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.536 1.808 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.456 ' CD1' HG12 ' A' ' 81' ' ' ILE . 9.9 m-30 -115.61 146.32 41.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.798 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -137.9 124.42 20.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.6 mt -101.52 133.89 43.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.501 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 0.8 OUTLIER -101.26 134.32 41.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.622 HD11 HG11 ' A' ' 27' ' ' VAL . 4.1 mm -127.82 153.82 37.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.524 HG23 ' N ' ' A' ' 69' ' ' GLN . 0.5 OUTLIER 178.42 175.04 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.389 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.524 ' N ' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -45.08 -64.56 0.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -50.85 -65.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.316 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.501 ' NE2' ' CG1' ' A' ' 66' ' ' VAL . 88.1 m-70 -39.2 -39.8 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.606 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.506 ' HA ' ' CZ ' ' A' ' 23' ' ' TYR . 4.1 tt0 -65.48 -51.83 57.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.339 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.4 mt -59.53 -52.95 54.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -73.05 -5.24 37.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.644 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.0 mmt-85 52.88 23.44 2.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 71' ' ' HIS . 54.1 p -122.82 139.45 54.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 110.044 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 2.7 p -116.18 172.12 7.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 108.27 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 29.4 m -108.13 114.71 28.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 110.411 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.555 HG11 HD21 ' A' ' 100' ' ' LEU . 59.2 t -89.9 129.18 41.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 61.1 m-20 -133.7 113.39 12.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.456 HG12 ' CD1' ' A' ' 63' ' ' PHE . 19.6 mt -79.13 149.96 5.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.427 ' N ' ' O ' ' A' ' 62' ' ' PRO . 10.3 mmt -114.46 -24.14 8.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -101.5 153.72 19.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 110.999 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 50.72 -166.86 0.52 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 84' ' ' GLY . 40.3 m -38.27 118.42 0.99 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 110.403 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 102.86 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.481 1.78 . . . . 0.0 110.972 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.423 ' OE1' ' CE1' ' A' ' 89' ' ' HIS . 2.6 mm-40 -109.91 110.73 21.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.352 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -97.5 100.69 12.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.423 ' CE1' ' OE1' ' A' ' 87' ' ' GLN . 73.5 m80 -91.83 114.72 27.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.582 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 29.8 mtt85 -93.79 138.39 32.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.331 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 48.39 88.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.422 ' CE ' ' OD1' ' A' ' 96' ' ' ASP . 10.1 mtp -121.97 138.3 28.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 92' ' ' MET . 18.3 Cg_endo -74.98 134.4 17.8 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.496 1.787 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.489 ' CG ' HG23 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -38.37 -63.04 0.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -38.4 -72.86 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.422 ' OD1' ' CE ' ' A' ' 92' ' ' MET . 8.5 t70 -44.77 -53.66 7.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.353 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 94' ' ' GLN . . . -47.58 -49.58 26.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 35.6 mmt -60.3 -24.84 65.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.963 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.424 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.5 OUTLIER -86.54 -47.72 16.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.555 HD21 HG11 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -60.23 -28.5 68.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.494 ' O ' ' CB ' ' A' ' 105' ' ' TYR . 0.8 OUTLIER -84.51 -49.11 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.493 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -63.08 -27.17 69.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.424 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 6.9 mmm180 -81.42 -65.05 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.416 ' ND2' ' O ' ' A' ' 100' ' ' LEU . 5.5 m-80 -49.48 -45.43 46.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.529 ' CE1' ' HD3' ' A' ' 109' ' ' LYS . 12.8 t80 -50.45 -52.88 34.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.951 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -51.58 -51.2 57.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -60.13 4.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -46.32 -44.7 16.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.529 ' HD3' ' CE1' ' A' ' 105' ' ' TYR . 1.2 ttpp -63.79 -47.84 79.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 -47.99 -33.28 7.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -93.67 -25.6 17.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 9.3 t -69.29 -54.73 13.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 108.267 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -43.78 -58.63 2.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 69.68 162.28 0.22 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.548 1.155 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -43.56 165.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.355 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 65.63 151.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.28 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.9 106.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -45.49 170.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -119.68 39.07 3.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 3.6 mt -41.02 142.92 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.105 . . . . 0.0 109.252 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -165.8 167.36 17.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.38 136.42 46.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.334 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -179.05 87.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -174.97 136.83 0.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.02 157.1 44.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.972 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -126.06 143.01 14.12 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -59.22 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.518 1.799 . . . . 0.0 111.037 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 12.0 m -128.83 176.78 7.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.996 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.2 m -108.03 167.94 9.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.947 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -179.24 123.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 0.746 . . . . 0.0 110.027 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -146.65 133.54 20.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 0.0 109.967 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.08 70.27 2.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -175.05 99.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 0.737 . . . . 0.0 109.962 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.9 m -133.63 95.05 3.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.99 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.9 156.89 26.98 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.539 1.149 . . . . 0.0 110.967 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 125.62 9.4 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.439 1.758 . . . . 0.0 110.962 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.422 HG12 ' C ' ' A' ' 11' ' ' CYS . 55.2 t -131.7 116.49 31.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.16 -46.18 5.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.488 ' O ' HG13 ' A' ' 38' ' ' VAL . 34.8 t -144.0 107.55 4.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 108.249 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.98 127.03 40.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 109.996 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.472 HG21 ' CA ' ' A' ' 28' ' ' GLY . 89.8 t -86.8 121.23 37.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.736 HG21 ' CD2' ' A' ' 49' ' ' LEU . 2.6 mm -98.18 113.53 33.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.564 HG22 ' O ' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -128.73 95.92 2.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.1 m -65.75 -44.44 93.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.564 ' O ' HG22 ' A' ' 15' ' ' VAL . 2.2 t-20 -76.49 170.9 15.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.59 -29.02 8.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -50.65 -42.07 56.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.265 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.3 p -83.33 49.41 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.395 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -86.17 -50.54 6.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.252 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -75.94 -17.53 59.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.445 ' CE1' HG23 ' A' ' 67' ' ' ILE . 37.4 t80 -84.96 -63.94 1.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 111.044 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.709 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -51.81 -33.65 36.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.807 ' HG2' HD22 ' A' ' 40' ' ' LEU . 5.7 mt-10 -63.12 -12.19 25.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 29' ' ' ARG . 24.5 t -89.15 -68.95 0.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.989 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.628 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -46.75 -26.78 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.715 ' O ' HG11 ' A' ' 38' ' ' VAL . . . -75.19 -37.23 43.15 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.45 1.094 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.4 ptt-85 -81.88 -28.34 32.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 110.33 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -59.5 -34.98 73.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.886 ' HB ' HG21 ' A' ' 38' ' ' VAL . 74.7 t -74.65 -26.37 19.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 -74.67 -31.35 61.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -61.27 -15.44 35.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.6 OUTLIER -94.21 -11.77 29.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.65 30.36 7.67 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.135 . . . . 0.0 111.065 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.525 ' O ' HG23 ' A' ' 38' ' ' VAL . 95.6 mtp -114.67 136.2 53.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 0.779 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 49.7 t -66.39 120.63 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.886 HG21 ' HB ' ' A' ' 31' ' ' VAL . 35.9 t -128.85 152.5 37.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -146.47 167.48 23.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.807 HD22 ' HG2' ' A' ' 25' ' ' GLU . 1.5 mp -116.96 128.97 55.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.9 mt -113.4 102.89 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.448 ' CZ ' HD23 ' A' ' 40' ' ' LEU . 48.4 m-85 -93.31 114.69 27.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.1 63.07 0.62 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -73.12 97.47 2.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.52 HG22 ' O ' ' A' ' 45' ' ' THR . 61.6 m 55.6 33.31 20.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.36 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -88.66 -92.09 0.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.262 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.67 HG11 ' HG3' ' A' ' 51' ' ' GLN . 1.3 t -127.9 -144.24 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.4 ' H ' HG12 ' A' ' 47' ' ' VAL . 13.1 m -108.4 157.16 18.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.997 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.736 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.8 OUTLIER -48.82 -58.83 4.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 53' ' ' LEU . 96.3 p -39.46 -55.04 1.86 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.004 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.67 ' HG3' HG11 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -39.3 -41.78 0.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 110.279 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.748 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -76.64 -43.02 39.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.445 ' HG ' HD22 ' A' ' 49' ' ' LEU . 51.2 mt -58.9 -28.89 66.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -70.81 -47.95 56.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -67.71 -23.3 65.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.824 HG11 ' HB2' ' A' ' 64' ' ' ALA . 36.7 t -62.68 -56.6 16.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.43 -60.9 2.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.0 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.421 ' HG2' ' N ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -52.24 -41.52 62.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.421 ' N ' ' HG2' ' A' ' 58' ' ' ARG . . . -64.59 -26.63 71.03 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.518 1.136 . . . . 0.0 110.972 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.88 -33.36 4.62 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.7 ' HB3' HG13 ' A' ' 56' ' ' VAL . 1.1 m -39.07 107.29 0.42 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.552 0.795 . . . . 0.0 109.985 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.429 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.3 Cg_endo -75.0 -34.75 3.58 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.48 1.779 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.571 ' CE1' HG12 ' A' ' 81' ' ' ILE . 15.6 m-30 -115.58 137.83 51.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.824 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -132.08 123.04 26.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.472 HG23 ' HB2' ' A' ' 77' ' ' CYS . 22.7 mt -95.41 134.33 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.527 HG22 HD11 ' A' ' 49' ' ' LEU . 0.5 OUTLIER -99.03 132.41 44.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.709 HG21 ' HB2' ' A' ' 24' ' ' ALA . 4.1 mm -128.89 149.37 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.721 HG22 ' CD2' ' A' ' 71' ' ' HIS . 5.2 t -174.49 155.71 2.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 110.376 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -38.52 -65.27 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.282 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.798 ' HA ' HD12 ' A' ' 73' ' ' ILE . 1.3 tp60 -44.06 -61.19 1.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.721 ' CD2' HG22 ' A' ' 68' ' ' THR . 17.6 m-70 -41.91 -55.18 3.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.608 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.437 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 3.9 tt0 -39.09 -45.22 1.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.26 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.798 HD12 ' HA ' ' A' ' 70' ' ' GLN . 16.6 mt -57.95 -54.78 27.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 39.2 m-70 -74.58 -2.91 28.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.634 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.482 ' N ' ' O ' ' A' ' 71' ' ' HIS . 0.0 OUTLIER 49.07 23.1 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.326 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.69 159.11 22.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.997 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.472 ' HB2' HG23 ' A' ' 65' ' ' ILE . 3.6 p -133.45 175.36 9.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 108.298 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.7 m -113.43 112.9 24.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 110.407 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 61.3 t -90.18 113.63 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -116.59 116.72 28.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.571 HG12 ' CE1' ' A' ' 63' ' ' PHE . 47.1 mt -79.52 149.67 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.429 ' N ' ' O ' ' A' ' 62' ' ' PRO . 9.6 mmt -114.64 -23.72 9.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.419 ' O ' ' CG2' ' A' ' 81' ' ' ILE . 0.5 OUTLIER -105.93 152.89 22.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.04 -171.74 34.84 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.762 HG23 ' HD2' ' A' ' 86' ' ' PRO . 2.5 m -40.49 146.56 0.43 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 110.407 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.762 ' HD2' HG23 ' A' ' 85' ' ' THR . 18.3 Cg_endo -75.03 91.05 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.481 1.779 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.61 114.47 28.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.329 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -113.83 113.45 24.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.31 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -100.37 119.45 38.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.61 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.7 mtt-85 -107.44 134.76 50.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 57.74 90.41 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.418 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 22.1 mmm -133.7 136.48 26.78 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 92' ' ' MET . 18.3 Cg_endo -75.01 144.39 30.13 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.449 1.763 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.499 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 0.0 OUTLIER -37.97 -70.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 98' ' ' MET . . . -37.81 -70.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -42.28 -46.15 4.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 94' ' ' GLN . . . -60.0 -43.26 95.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -66.21 -28.96 69.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -82.57 -44.66 19.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.35 -30.52 71.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.8 OUTLIER -83.87 -48.04 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.475 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -61.42 -34.66 75.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.3 mmm180 -73.9 -59.47 2.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 110.326 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -54.3 -49.63 69.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.506 ' CE1' ' HD3' ' A' ' 109' ' ' LYS . 17.2 t80 -46.32 -53.22 11.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -42.36 -54.78 3.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 110.329 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 110' ' ' ASN . 0.0 OUTLIER -64.37 -56.22 15.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.27 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -39.51 -39.78 0.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.958 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.506 ' HD3' ' CE1' ' A' ' 105' ' ' TYR . 0.2 OUTLIER -67.56 -48.29 67.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 107' ' ' ARG . 20.0 m-20 -47.55 -34.56 7.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -93.59 -24.28 17.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 34.4 t -60.32 -56.64 19.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.135 . . . . 0.0 108.288 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.26 -55.08 3.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -77.17 92.74 3.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.1 -178.13 7.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -115.79 131.96 56.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 58.9 114.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 110.323 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -43.32 152.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.241 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.47 -8.69 49.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.595 HG22 ' N ' ' A' ' 121' ' ' ALA . 9.2 mt -105.13 -113.87 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.595 ' N ' HG22 ' A' ' 120' ' ' ILE . . . 41.87 68.56 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -48.44 113.76 0.82 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.56 169.82 8.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.23 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -48.7 153.04 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 57.8 p -176.04 92.91 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.978 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -135.34 100.77 0.37 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 101.15 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.557 1.819 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.65 164.83 25.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.037 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.01 -55.23 3.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.001 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.05 106.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 109.992 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 55.74 177.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.022 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.2 176.1 31.69 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.482 1.113 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -45.13 143.12 1.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 0.747 . . . . 0.0 110.013 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.9 m -44.07 104.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.954 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.02 163.82 30.98 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.441 1.088 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 150.54 38.29 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.491 1.785 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.417 ' CG1' ' N ' ' A' ' 10' ' ' ASP . 9.7 t -119.55 159.37 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.417 ' N ' ' CG1' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -91.0 -43.86 9.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.564 ' O ' HG13 ' A' ' 38' ' ' VAL . 0.6 OUTLIER -142.03 111.99 6.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 108.247 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.46 131.21 36.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.032 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.554 HG21 ' CA ' ' A' ' 28' ' ' GLY . 44.9 t -92.29 124.94 44.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.679 HG21 ' CD2' ' A' ' 49' ' ' LEU . 2.3 mm -110.25 111.02 34.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.61 106.63 20.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.017 HG12 HD12 ' A' ' 43' ' ' LEU . 9.6 m -91.64 -32.52 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.656 ' OD1' HG23 ' A' ' 20' ' ' THR . 12.8 t-20 -51.32 164.41 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.459 ' N ' ' CG ' ' A' ' 17' ' ' ASN . 8.4 tptt -69.72 -81.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -94.87 100.03 11.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.656 HG23 ' OD1' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -152.62 23.51 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.409 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 42' ' ' PHE . 8.0 ttmt -70.94 -62.87 1.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -44.4 -39.0 4.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.673 ' HE2' HD12 ' A' ' 67' ' ' ILE . 44.7 t80 -75.02 -65.18 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.22 -49.0 23.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.831 ' HG2' HD22 ' A' ' 40' ' ' LEU . 53.2 mt-10 -50.9 -21.29 1.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 29' ' ' ARG . 5.0 t -83.45 -68.22 0.73 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.036 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.823 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -49.6 -26.96 2.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.647 ' O ' HG11 ' A' ' 38' ' ' VAL . . . -75.58 -26.66 64.86 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -91.07 -35.14 14.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 110.312 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.87 -39.15 24.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.969 ' HB ' HG21 ' A' ' 38' ' ' VAL . 60.6 t -72.38 -29.53 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 29' ' ' ARG . 30.8 mtp180 -71.88 -31.77 66.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.336 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -59.88 -19.41 51.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.7 OUTLIER -89.84 -11.62 41.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.11 25.57 12.57 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.125 . . . . 0.0 110.995 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.459 ' HB2' HG12 ' A' ' 31' ' ' VAL . 89.8 mtp -108.74 136.69 47.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 0.772 . . . . 0.0 110.991 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.6 t -66.62 126.85 26.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.969 HG21 ' HB ' ' A' ' 31' ' ' VAL . 96.4 t -136.59 149.19 26.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -135.34 168.09 19.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.831 HD22 ' HG2' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -121.08 126.22 49.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.5 mt -114.48 114.05 45.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.562 ' CZ ' ' HB2' ' A' ' 21' ' ' LYS . 47.7 m-85 -103.16 121.33 42.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 1.017 HD12 HG12 ' A' ' 16' ' ' VAL . 80.5 mt -89.41 -72.33 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 45' ' ' THR . 1.6 t-20 55.63 91.41 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 44' ' ' ASN . 16.5 p 38.61 63.9 0.82 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 0.0 110.445 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -122.99 -75.55 0.6 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.539 HG11 ' HG2' ' A' ' 51' ' ' GLN . 1.6 t -140.54 -145.23 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.513 ' H ' HG12 ' A' ' 47' ' ' VAL . 11.2 t -112.14 150.19 31.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 110.016 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.679 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.9 OUTLIER -40.47 -57.81 1.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 53' ' ' LEU . 94.6 p -39.24 -55.29 1.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.015 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.539 ' HG2' HG11 ' A' ' 47' ' ' VAL . 1.6 tp60 -39.14 -39.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . -80.33 -43.32 21.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.507 ' HG ' HD22 ' A' ' 49' ' ' LEU . 68.2 mt -57.92 -32.68 67.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -67.52 -39.17 85.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.85 -26.16 62.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.686 HG13 ' HB3' ' A' ' 61' ' ' SER . 15.5 t -64.3 -72.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -45.06 -63.92 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.01 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.425 ' HG2' ' N ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER -52.92 -37.96 61.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.425 ' N ' ' HG2' ' A' ' 58' ' ' ARG . . . -66.25 -22.86 71.27 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.491 1.12 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 114.44 -33.53 5.35 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.686 ' HB3' HG13 ' A' ' 56' ' ' VAL . 0.4 OUTLIER -39.47 112.87 0.8 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.543 0.79 . . . . 0.0 110.029 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -39.34 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.561 1.821 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.568 ' CE1' HG12 ' A' ' 81' ' ' ILE . 14.4 m-30 -113.76 147.05 38.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.123 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.531 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -137.05 125.76 23.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.355 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.6 mt -95.33 129.85 44.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.577 HG22 HD11 ' A' ' 49' ' ' LEU . 1.2 t -95.31 123.18 47.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.823 HD11 HG11 ' A' ' 27' ' ' VAL . 6.4 mm -122.55 157.46 27.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.802 HG22 ' CD2' ' A' ' 71' ' ' HIS . 11.0 t -174.09 -158.42 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.419 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.486 ' N ' HG23 ' A' ' 68' ' ' THR . 2.7 tt0 -73.66 -63.44 1.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' A' ' 73' ' ' ILE . 0.0 OUTLIER -54.02 -54.43 39.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.278 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.802 ' CD2' HG22 ' A' ' 68' ' ' THR . 36.9 m-70 -43.94 -32.39 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.639 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.439 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 1.4 tt0 -74.71 -44.21 51.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.264 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 70' ' ' GLN . 64.5 mt -61.19 -47.22 94.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -85.47 -10.1 56.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.61 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 71' ' ' HIS . 0.0 OUTLIER 58.04 30.67 19.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 57.5 p -123.91 137.46 54.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.031 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.604 ' HB3' HD13 ' A' ' 67' ' ' ILE . 1.5 p -120.05 174.3 6.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 108.281 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.841 HG23 ' O ' ' A' ' 89' ' ' HIS . 7.0 m -113.25 116.78 30.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 110.437 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.0 t -90.41 119.59 37.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -117.64 120.73 38.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.568 HG12 ' CE1' ' A' ' 63' ' ' PHE . 37.1 mt -83.45 143.09 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.0 mmt -107.01 -28.76 9.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.593 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -95.89 149.78 21.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.958 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.04 -169.64 38.79 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.732 HG23 ' HD2' ' A' ' 86' ' ' PRO . 2.4 m -43.17 146.5 0.82 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 110.406 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.732 ' HD2' HG23 ' A' ' 85' ' ' THR . 18.3 Cg_endo -75.04 99.12 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.529 1.805 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -112.68 115.95 29.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -112.7 107.12 15.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.841 ' O ' HG23 ' A' ' 78' ' ' THR . 63.1 m-70 -94.47 110.57 22.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.639 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 45.6 mtp180 -101.56 135.58 42.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.8 m120 58.57 92.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 11.2 mmm -141.66 137.21 16.07 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.542 1.152 . . . . 0.0 110.939 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 148.6 35.53 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.476 1.777 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -49.8 -65.88 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.348 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -39.08 -42.41 0.91 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 99' ' ' VAL . 0.4 OUTLIER -71.08 -56.61 5.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -49.38 -28.36 4.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.457 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 29.7 mmt -73.81 -30.18 62.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.445 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.3 OUTLIER -80.92 -41.77 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.42 ' O ' ' ND2' ' A' ' 104' ' ' ASN . 0.1 OUTLIER -65.07 -28.67 69.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.501 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.6 OUTLIER -88.63 -49.85 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.501 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -58.76 -36.5 74.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.445 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 2.2 mmt85 -73.19 -71.3 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 100' ' ' LEU . 7.0 m-80 -41.88 -57.62 2.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.481 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 13.6 t80 -38.13 -58.12 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -42.39 -56.85 2.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -55.68 25.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -40.52 -48.38 2.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.98 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 112' ' ' CYS . 3.7 mtmt -59.35 -48.63 80.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -46.17 -34.63 4.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -93.27 -25.3 17.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' CYS . . . . . 0.4 ' N ' ' O ' ' A' ' 109' ' ' LYS . 7.0 t -63.4 -52.32 62.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 108.286 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -42.79 -53.76 4.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 0.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -54.7 102.22 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.23 178.27 2.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.5 -57.13 9.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.25 13.22 5.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.34 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -39.3 155.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.325 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -111.92 37.37 2.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 71.7 mt -109.42 115.27 49.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -173.49 96.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.64 166.89 10.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.425 1.078 . . . . 0.0 110.331 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -140.52 -57.74 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . 62.05 71.62 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 9.8 t 63.05 140.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.011 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -146.27 116.0 0.84 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.478 1.111 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 129.41 12.29 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.444 1.76 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.11 90.84 4.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.967 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 92.9 p -149.55 81.46 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.036 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.6 t -177.59 137.63 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 0.784 . . . . 0.0 109.995 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.5 t -152.9 159.51 42.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.595 1.184 . . . . 0.0 109.994 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.99 -139.44 10.37 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.556 1.16 . . . . 0.0 110.978 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 56.37 81.27 0.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.553 0.796 . . . . 0.0 110.002 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -126.24 102.98 7.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.579 1.175 . . . . 0.0 110.01 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.25 -162.71 34.77 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.537 1.148 . . . . 0.0 110.964 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 159.64 41.27 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 110.985 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.8 t -124.08 128.48 74.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.84 -45.8 71.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.348 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 t -141.74 107.61 5.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 108.266 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.11 125.21 36.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 110.039 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.424 ' CG1' HG13 ' A' ' 67' ' ' ILE . 62.5 t -88.62 115.36 28.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.717 HG21 ' CD2' ' A' ' 49' ' ' LEU . 3.9 mm -93.89 112.11 26.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 17' ' ' ASN . 0.9 OUTLIER -126.07 95.8 3.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.667 HG12 HD12 ' A' ' 43' ' ' LEU . 5.9 m -72.42 -29.91 32.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.499 ' O ' ' CG2' ' A' ' 15' ' ' VAL . 5.8 m120 -95.26 122.14 37.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -66.09 -40.26 90.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.5 -41.75 1.5 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.344 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.427 ' CG2' ' HB2' ' A' ' 72' ' ' GLN . 1.3 p -88.61 65.09 7.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.388 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -90.52 -54.56 3.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -65.79 -56.24 12.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.498 ' CE2' ' HA ' ' A' ' 72' ' ' GLN . 4.7 t80 -42.39 -49.61 5.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.701 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -70.27 -41.68 73.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.15 -21.61 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 29' ' ' ARG . 5.6 t -84.51 -67.79 0.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 109.978 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.658 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -39.14 -32.76 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.815 ' HA2' HG11 ' A' ' 38' ' ' VAL . . . -73.82 -49.64 13.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 26' ' ' SER . 2.1 ptm180 -64.82 -26.74 68.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -63.69 -42.72 97.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.269 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.711 ' HB ' HG21 ' A' ' 38' ' ' VAL . 60.1 t -70.5 -25.99 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 0.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.406 ' HG2' HG23 ' A' ' 38' ' ' VAL . 7.7 mtm180 -74.99 -34.83 62.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -59.22 -17.98 32.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.582 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.9 OUTLIER -90.49 -10.55 43.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.15 31.37 8.09 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.529 1.143 . . . . 0.0 110.966 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.605 ' SD ' ' CE1' ' A' ' 105' ' ' TYR . 32.4 mmm -116.61 139.03 50.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 0.734 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.2 t -67.34 128.37 30.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.815 HG11 ' HA2' ' A' ' 28' ' ' GLY . 23.6 t -131.72 148.09 32.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -139.02 167.53 21.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -123.62 125.37 44.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.0 mt -110.85 106.06 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -92.1 116.0 28.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.667 HD12 HG12 ' A' ' 16' ' ' VAL . 0.7 OUTLIER -115.81 73.4 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -56.16 -42.83 77.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.5 m -156.73 -47.28 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.423 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.658 ' O ' HG22 ' A' ' 47' ' ' VAL . 12.8 mt-10 -43.71 135.15 4.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.103 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.658 HG22 ' O ' ' A' ' 46' ' ' GLU . 9.2 m 47.98 -159.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 55.4 m -144.29 -176.04 4.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.993 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.717 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.4 OUTLIER -57.3 -59.71 4.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 53' ' ' LEU . 78.9 p -45.52 -56.14 5.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.94 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -43.84 -36.56 2.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.268 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.934 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -79.11 -37.88 37.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.538 ' HG ' HD22 ' A' ' 49' ' ' LEU . 33.4 mt -59.16 -29.7 67.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -71.89 -55.11 8.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.429 ' HA ' ' CG ' ' A' ' 58' ' ' ARG . 2.0 t70 -59.63 -23.45 63.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.934 HG23 ' O ' ' A' ' 52' ' ' ALA . 41.6 t -64.59 -65.03 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.8 t -66.53 -55.56 14.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.021 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.445 ' CD ' ' C ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -51.67 -26.05 8.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.428 ' N ' ' HG3' ' A' ' 58' ' ' ARG . . . -83.43 -32.12 25.97 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 129.9 -29.31 3.76 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.549 ' HB2' HG13 ' A' ' 56' ' ' VAL . 73.9 m -38.79 113.35 0.76 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 0.78 . . . . 0.0 110.04 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.2 Cg_endo -75.02 -45.66 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.78 . . . . 0.0 110.968 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.493 ' CE1' HG12 ' A' ' 81' ' ' ILE . 11.8 m-30 -113.95 143.82 44.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.624 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -140.22 124.67 17.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 49.5 mt -95.72 142.26 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.553 ' CG2' HD11 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -104.8 128.5 58.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.701 HG21 ' HB2' ' A' ' 24' ' ' ALA . 4.3 mm -125.49 147.92 30.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.337 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.709 HG22 ' CD2' ' A' ' 71' ' ' HIS . 5.4 t -173.77 160.56 3.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.374 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.86 -60.58 2.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.663 ' HA ' HD12 ' A' ' 73' ' ' ILE . 6.1 tt0 -46.33 -47.84 18.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.333 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.709 ' CD2' HG22 ' A' ' 68' ' ' THR . 19.0 m-70 -59.3 -39.82 84.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.598 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.498 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 12.0 tt0 -56.16 -21.0 20.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.663 HD12 ' HA ' ' A' ' 70' ' ' GLN . 18.3 mt -87.19 -49.76 14.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -76.13 -2.88 33.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.612 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 71' ' ' HIS . 3.1 mmm180 46.09 38.08 4.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.294 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.2 p -132.83 159.64 39.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.167 . . . . 0.0 110.008 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.543 ' SG ' HG21 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -129.4 175.63 8.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 108.319 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.621 HG23 ' HA ' ' A' ' 90' ' ' ARG . 53.3 m -121.11 109.55 15.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.413 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.515 HG11 HD21 ' A' ' 100' ' ' LEU . 88.3 t -89.64 126.84 42.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 61.5 m-20 -130.4 114.97 16.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.493 HG12 ' CE1' ' A' ' 63' ' ' PHE . 55.5 mt -75.05 150.34 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 62' ' ' PRO . 4.7 mmt -125.91 0.65 7.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.96 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.42 ' O ' ' O ' ' A' ' 84' ' ' GLY . 0.3 OUTLIER -131.02 141.69 50.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 111.009 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' A' ' 85' ' ' THR . . . 52.76 106.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.437 ' O ' ' O ' ' A' ' 84' ' ' GLY . 22.1 m 56.23 113.19 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.485 0.756 . . . . 0.0 110.421 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 92.83 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.427 1.751 . . . . 0.0 111.045 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -107.89 152.6 24.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.345 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -136.92 107.21 6.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 51.7 m80 -95.99 114.52 26.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.583 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.621 ' HA ' HG23 ' A' ' 78' ' ' THR . 17.8 mtm180 -108.59 145.95 34.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.334 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 42.8 m-20 58.53 80.85 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 17.2 mmm -134.5 134.38 22.35 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 137.33 21.62 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.447 1.762 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -38.77 -64.49 0.44 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.446 1.092 . . . . 0.0 110.271 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -37.74 -56.7 1.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -60.79 -50.68 72.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.316 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -50.47 -37.58 39.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.411 ' O ' HG12 ' A' ' 101' ' ' VAL . 30.5 mmt -69.06 -26.5 64.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.496 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.4 OUTLIER -86.2 -43.56 16.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.246 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.515 HD21 HG11 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -62.69 -28.04 69.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.476 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.8 OUTLIER -85.66 -47.83 16.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.476 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -63.18 -34.61 78.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 5.4 mmm-85 -70.2 -68.81 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -44.11 -51.02 8.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.605 ' CE1' ' SD ' ' A' ' 36' ' ' MET . 9.2 t80 -47.7 -55.39 9.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -44.07 -60.43 1.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.272 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.42 ' NH1' ' OE2' ' A' ' 111' ' ' GLU . 0.0 OUTLIER -48.46 -57.93 5.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -48.37 -42.12 30.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.516 ' HD3' ' CZ ' ' A' ' 105' ' ' TYR . 0.7 OUTLIER -65.05 -47.76 76.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -46.92 -32.83 4.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.42 ' OE2' ' NH1' ' A' ' 107' ' ' ARG . 45.2 mt-10 -92.93 -26.13 17.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 25.5 t -59.58 -62.82 1.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 108.307 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -42.77 -50.72 5.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.49 94.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.18 178.37 1.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 117' ' ' ARG . 3.5 mm-40 -43.0 115.83 0.8 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.342 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 116' ' ' GLU . 37.4 mtt85 -35.46 108.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -46.8 157.64 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.299 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -115.19 35.32 4.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 88.3 mt -106.93 142.95 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 52.92 176.34 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.62 103.43 6.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 64.52 102.19 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.242 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -91.44 173.49 7.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.6 t -99.83 159.21 15.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 162.23 75.59 0.03 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.132 . . . . 0.0 110.972 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -56.09 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.512 1.796 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.28 146.32 42.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.018 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.2 m -124.49 103.99 8.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 -179.964 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 m -150.31 -46.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 0.783 . . . . 0.0 109.984 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 4' ' ' GLY . 0.7 OUTLIER 64.67 -89.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.959 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -37.91 141.58 0.36 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.116 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.22 -59.34 2.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 0.782 . . . . 0.0 109.992 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.4 t -163.39 83.14 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.982 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.82 -172.68 20.24 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 166.07 30.0 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.529 1.805 . . . . 0.0 111.031 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.7 t -138.07 115.57 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.76 -46.4 10.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 8.5 t -148.83 114.52 5.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 108.273 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.2 m -96.55 128.15 43.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.483 HG21 ' CA ' ' A' ' 28' ' ' GLY . 84.7 t -86.73 120.49 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.685 HG21 ' CD2' ' A' ' 49' ' ' LEU . 3.1 mm -97.22 112.93 30.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.257 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.418 ' CG2' ' O ' ' A' ' 17' ' ' ASN . 0.9 OUTLIER -125.66 102.86 10.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.127 . . . . 0.0 109.268 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.722 HG12 HD12 ' A' ' 43' ' ' LEU . 10.2 m -80.28 -28.28 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.418 ' O ' ' CG2' ' A' ' 15' ' ' VAL . 15.3 m120 -100.15 121.83 42.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -62.75 -40.78 98.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 0.0 109.328 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.93 -43.32 2.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.495 HG22 ' CG ' ' A' ' 72' ' ' GLN . 1.2 p -82.97 55.86 3.25 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.521 1.138 . . . . 0.0 110.434 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.515 ' O ' ' CG ' ' A' ' 25' ' ' GLU . 14.5 tttt -89.62 -67.48 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.92 -39.59 54.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -67.17 -64.41 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.951 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.986 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -52.38 -35.76 52.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.576 ' HG2' HD21 ' A' ' 40' ' ' LEU . 5.4 mm-40 -61.75 -21.54 64.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 29' ' ' ARG . 8.3 t -80.78 -68.01 0.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.042 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.602 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -44.43 -32.69 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.641 ' HA2' HG11 ' A' ' 38' ' ' VAL . . . -73.7 -39.23 49.0 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 26' ' ' SER . 4.6 ptm180 -78.52 -22.01 47.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 0.764 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -68.82 -37.29 79.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.762 ' HB ' HG21 ' A' ' 38' ' ' VAL . 68.4 t -72.46 -20.57 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.6 mtp180 -80.58 -32.11 36.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -59.72 -17.35 34.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.38 -12.53 34.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.3 4.85 54.94 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.538 ' HB2' HG12 ' A' ' 31' ' ' VAL . 56.6 mtp -88.42 134.45 33.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 0.791 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.5 t -65.69 128.36 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.762 HG21 ' HB ' ' A' ' 31' ' ' VAL . 36.4 t -130.54 150.18 34.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -138.36 168.69 19.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.576 HD21 ' HG2' ' A' ' 25' ' ' GLU . 1.8 mp -125.64 127.95 47.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 20.6 mt -115.8 99.97 9.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -89.36 115.71 27.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.722 HD12 HG12 ' A' ' 16' ' ' VAL . 0.5 OUTLIER -107.8 58.17 0.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.266 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -44.08 -67.51 0.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.6 m -149.38 69.24 1.04 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.406 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -118.69 -90.02 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.829 HG11 ' HG2' ' A' ' 51' ' ' GLN . 1.4 t -122.62 -143.55 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.415 ' H ' HG12 ' A' ' 47' ' ' VAL . 28.0 t -107.78 176.02 5.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.977 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.685 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.6 OUTLIER -65.77 -53.33 41.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 96.7 p -47.16 -46.64 23.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.023 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.829 ' HG2' HG11 ' A' ' 47' ' ' VAL . 2.4 tp-100 -45.99 -35.51 4.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.331 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.959 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -79.67 -40.02 30.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 53' ' ' LEU . 44.9 mt -58.94 -39.44 81.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -63.0 -38.18 90.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.285 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.33 -27.06 35.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.959 HG23 ' O ' ' A' ' 52' ' ' ALA . 52.5 t -60.3 -44.0 94.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 60' ' ' GLY . 0.0 OUTLIER -66.7 -66.46 0.55 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 110.063 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.42 ' HB2' ' NH1' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -46.28 -36.37 6.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.404 ' N ' ' CG ' ' A' ' 58' ' ' ARG . . . -62.94 -31.98 82.43 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 57' ' ' SER . . . 118.79 -30.53 5.88 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.602 ' HB2' HG13 ' A' ' 56' ' ' VAL . 0.7 OUTLIER -38.54 110.28 0.55 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 110.04 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.2 Cg_endo -75.0 -34.84 3.51 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.492 1.785 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 15.8 m-30 -115.99 149.13 39.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 111.059 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.521 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -145.77 126.75 14.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.471 HG23 ' HB3' ' A' ' 77' ' ' CYS . 27.5 mt -100.43 139.56 21.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.611 ' CG2' HD11 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -100.33 132.38 46.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.986 HG21 ' HB2' ' A' ' 24' ' ' ALA . 6.4 mm -129.08 147.38 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.548 HG23 ' N ' ' A' ' 69' ' ' GLN . 0.5 OUTLIER -175.93 176.11 1.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.386 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.548 ' N ' HG23 ' A' ' 68' ' ' THR . 0.5 OUTLIER -49.73 -65.43 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.451 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.9 mm100 -49.06 -66.78 0.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.449 ' O ' ' N ' ' A' ' 75' ' ' ARG . 83.4 m-70 -37.43 -35.87 0.14 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.588 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.495 ' CG ' HG22 ' A' ' 20' ' ' THR . 8.4 tt0 -62.46 -55.47 27.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 70' ' ' GLN . 6.0 mt -57.3 -59.59 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -62.52 -17.66 60.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.621 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 71' ' ' HIS . 5.8 mtp180 58.91 31.46 21.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.4 p -124.71 140.36 53.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.989 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.471 ' HB3' HG23 ' A' ' 65' ' ' ILE . 3.1 m -117.15 176.6 5.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 108.305 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.6 m -117.7 118.61 32.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.418 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.83 HG11 HD21 ' A' ' 100' ' ' LEU . 60.0 t -89.63 107.89 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -111.92 110.94 21.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 58.1 mt -79.28 149.66 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 62' ' ' PRO . 7.6 mmt -113.75 -24.83 8.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.57 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -98.39 151.07 20.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 67.51 -157.54 51.79 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.534 1.146 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.732 HG23 ' HD2' ' A' ' 86' ' ' PRO . 2.6 m -57.42 146.52 63.2 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 110.445 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.732 ' HD2' HG23 ' A' ' 85' ' ' THR . 18.2 Cg_endo -75.02 99.07 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.528 1.804 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -114.7 109.4 18.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.262 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -108.58 97.69 7.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -83.3 109.94 17.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.596 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.7 mtp-105 -94.06 132.56 38.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.6 t30 66.96 89.24 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.41 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 39.0 mtp -131.74 131.41 22.72 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 94' ' ' GLN . 18.3 Cg_endo -75.03 139.98 24.83 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.578 1.831 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -37.76 -65.68 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 110.339 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -38.55 -72.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 99' ' ' VAL . 1.0 OUTLIER -45.12 -52.46 9.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 94' ' ' GLN . . . -49.78 -41.39 44.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 27.6 mmt -72.57 -22.26 61.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.508 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.4 OUTLIER -86.08 -50.13 14.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.83 HD21 HG11 ' A' ' 79' ' ' VAL . 0.1 OUTLIER -54.23 -41.28 68.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.426 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.5 OUTLIER -68.43 -45.1 82.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.426 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -71.12 -14.12 62.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.508 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 8.4 mmm-85 -88.18 -55.74 3.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.415 ' CG ' ' O ' ' A' ' 100' ' ' LEU . 2.7 m120 -58.28 -56.56 20.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.49 ' CZ ' ' HE2' ' A' ' 109' ' ' LYS . 29.6 t80 -37.77 -48.73 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.405 ' O ' ' OD1' ' A' ' 110' ' ' ASN . 7.1 mm-40 -50.13 -58.58 5.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 110' ' ' ASN . 0.0 OUTLIER -68.45 -51.12 47.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -44.72 -29.81 0.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 111.027 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.49 ' HE2' ' CZ ' ' A' ' 105' ' ' TYR . 3.6 mtmt -78.54 -40.94 33.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.251 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 107' ' ' ARG . 12.3 m-20 -47.21 -37.55 10.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -91.15 -24.88 19.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.577 1.173 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 20.8 t -58.57 -56.19 25.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 108.279 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.99 -47.6 4.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.406 ' O ' ' CB ' ' A' ' 115' ' ' LYS . 18.8 tt0 -51.93 102.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.309 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.406 ' CB ' ' O ' ' A' ' 114' ' ' GLU . 0.0 OUTLIER 81.22 135.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.405 ' CB ' ' O ' ' A' ' 115' ' ' LYS . 3.3 tt0 79.22 -59.67 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 2.1 mmt85 62.86 141.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -48.52 177.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.348 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -116.14 28.72 8.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.276 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 54.6 mt -76.74 107.37 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -67.37 160.08 28.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -54.24 143.21 23.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 70.91 137.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 110.326 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -165.78 -54.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.9 163.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.966 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -177.22 -177.97 46.54 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.536 1.148 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 126.99 10.31 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.439 1.757 . . . . 0.0 111.002 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.87 -59.39 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.036 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 25.1 m -109.67 124.83 51.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.971 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.11 . . . . 0.0 110.955 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 m -150.56 95.7 2.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 0.739 . . . . 0.0 110.018 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.5 m 59.66 152.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.997 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.72 -76.8 1.06 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.458 1.099 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.1 t 62.35 111.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 0.762 . . . . 0.0 109.979 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t -107.25 -60.81 1.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.987 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.19 -179.71 21.82 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 149.72 37.2 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.494 1.786 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.573 HG12 ' C ' ' A' ' 11' ' ' CYS . 73.1 t -126.96 102.71 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -40.23 -39.76 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.623 ' SG ' HD12 ' A' ' 65' ' ' ILE . 41.8 t -143.87 121.29 11.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 108.309 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.3 m -104.51 122.26 45.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.0 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.2 t -87.23 118.5 33.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.542 HG21 ' CD2' ' A' ' 49' ' ' LEU . 2.1 mm -100.56 102.81 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -110.99 99.43 8.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.009 HG12 HD12 ' A' ' 43' ' ' LEU . 33.3 m -79.99 58.42 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 174.43 -171.36 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -123.16 -43.69 2.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.5 -43.79 1.32 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.28 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.4 p -89.07 51.96 2.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.393 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -85.96 -56.58 3.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.433 1.083 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.99 -46.64 86.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -57.55 -60.97 2.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 111.053 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.61 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -52.65 -38.62 60.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.855 ' CG ' HD22 ' A' ' 40' ' ' LEU . 3.3 mt-10 -63.79 -10.78 21.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.147 . . . . 0.0 110.333 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.465 ' HA ' ' CZ ' ' A' ' 29' ' ' ARG . 7.2 t -89.27 -70.87 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.994 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.642 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -41.89 -30.52 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.645 ' HA2' HG11 ' A' ' 38' ' ' VAL . . . -75.09 -45.69 19.1 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.531 1.144 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.465 ' CZ ' ' HA ' ' A' ' 26' ' ' SER . 0.3 OUTLIER -70.39 -29.17 65.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 0.776 . . . . 0.0 110.294 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -59.94 -39.01 84.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.935 ' HB ' HG21 ' A' ' 38' ' ' VAL . 97.1 t -70.27 -27.22 31.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -73.22 -33.01 65.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 110.254 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -60.04 -17.74 41.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.5 OUTLIER -91.48 -11.92 36.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.345 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.96 31.49 6.94 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.455 1.097 . . . . 0.0 111.034 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.609 ' HB2' HG12 ' A' ' 31' ' ' VAL . 91.2 mtp -115.64 134.32 55.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 0.801 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.6 t -66.41 119.21 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.935 HG21 ' HB ' ' A' ' 31' ' ' VAL . 48.5 t -129.96 151.06 35.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.401 ' CG ' ' N ' ' A' ' 40' ' ' LEU . 16.4 t70 -144.03 168.42 20.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.855 HD22 ' CG ' ' A' ' 25' ' ' GLU . 1.5 mp -116.41 132.31 56.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 24.4 mt -114.75 106.31 20.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -93.02 120.56 33.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 1.009 HD12 HG12 ' A' ' 16' ' ' VAL . 39.2 mt -103.68 75.87 1.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -69.17 68.78 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.704 HG22 ' O ' ' A' ' 45' ' ' THR . 4.9 m 51.26 39.73 24.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.41 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.74 -62.52 1.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.678 HG11 ' HG2' ' A' ' 51' ' ' GLN . 1.8 t -141.85 -143.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.503 ' H ' HG12 ' A' ' 47' ' ' VAL . 36.9 m -110.23 154.56 23.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.002 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.542 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.3 OUTLIER -46.49 -55.13 7.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.6 p -44.43 -47.76 9.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.001 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.678 ' HG2' HG11 ' A' ' 47' ' ' VAL . 3.2 tp60 -47.62 -31.45 4.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.335 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.453 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -83.11 -38.64 22.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 53' ' ' LEU . 23.6 mt -56.75 -44.15 81.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -57.67 -37.75 73.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.434 ' HA ' ' CG ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER -68.82 -33.38 73.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.941 HG11 ' HB2' ' A' ' 64' ' ' ALA . 69.2 t -64.75 -40.24 88.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.11 -51.16 7.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 110.037 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.447 ' HG3' ' N ' ' A' ' 59' ' ' GLY . 0.1 OUTLIER -63.88 -22.52 66.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.324 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.447 ' N ' ' HG3' ' A' ' 58' ' ' ARG . . . -85.65 -32.42 18.81 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 61' ' ' SER . . . 124.82 -29.57 4.88 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.859 ' HB3' HG13 ' A' ' 56' ' ' VAL . 1.0 OUTLIER -38.1 117.09 0.9 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 110.002 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.415 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.4 Cg_endo -75.0 -45.14 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.526 1.803 . . . . 0.0 111.017 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.563 ' CD1' HG12 ' A' ' 81' ' ' ILE . 9.9 m-30 -112.74 153.0 28.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.941 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -144.3 125.37 14.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.623 HD12 ' SG ' ' A' ' 11' ' ' CYS . 8.8 mt -95.23 141.43 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.453 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 0.4 OUTLIER -107.88 131.94 56.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.642 HD11 HG11 ' A' ' 27' ' ' VAL . 4.7 mm -125.79 150.87 31.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.57 HG22 ' CD2' ' A' ' 71' ' ' HIS . 2.5 t -174.62 161.48 3.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.441 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 68' ' ' THR . 8.7 mt-30 -38.38 -64.99 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.34 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 73' ' ' ILE . 0.0 OUTLIER -50.9 -62.27 1.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.327 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.57 ' CD2' HG22 ' A' ' 68' ' ' THR . 15.5 m-70 -39.78 -37.16 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.627 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -62.24 -50.6 71.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 70' ' ' GLN . 12.7 mt -56.25 -65.41 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -61.65 -17.64 56.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 109.617 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 71' ' ' HIS . 6.4 mtp180 61.93 33.99 17.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.269 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.4 p -123.54 143.14 50.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.978 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.521 ' HB2' HG23 ' A' ' 65' ' ' ILE . 1.7 p -121.19 175.5 6.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 108.327 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.643 HG23 ' O ' ' A' ' 89' ' ' HIS . 52.3 m -116.56 114.45 24.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.372 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.594 HG11 HD21 ' A' ' 100' ' ' LEU . 57.7 t -90.91 113.63 26.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -112.59 118.33 34.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.563 HG12 ' CD1' ' A' ' 63' ' ' PHE . 29.6 mt -84.82 144.28 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 62' ' ' PRO . 9.9 mmt -107.86 -28.02 9.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 111.045 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.609 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.3 OUTLIER -100.61 149.26 23.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 111.003 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.0 -165.59 54.77 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.472 1.108 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.738 HG23 ' HD2' ' A' ' 86' ' ' PRO . 2.6 m -51.16 146.46 11.18 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.528 0.781 . . . . 0.0 110.386 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.738 ' HD2' HG23 ' A' ' 85' ' ' THR . 18.3 Cg_endo -75.0 101.2 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.529 1.805 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -116.15 110.45 18.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -104.29 103.31 13.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.643 ' O ' HG23 ' A' ' 78' ' ' THR . 75.3 m-70 -88.05 110.96 21.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.61 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.9 mtp85 -103.2 128.91 50.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 60.08 94.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.464 ' CE ' ' HB3' ' A' ' 96' ' ' ASP . 9.6 mmm -138.95 136.99 18.81 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 92' ' ' MET . 18.2 Cg_endo -74.98 139.02 23.83 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.547 1.814 . . . . 0.0 111.019 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.46 ' CG ' HG23 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -39.13 -64.4 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.303 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -39.65 -49.58 2.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.464 ' HB3' ' CE ' ' A' ' 92' ' ' MET . 0.5 OUTLIER -62.89 -58.36 7.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -46.65 -43.34 17.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.411 ' O ' HG12 ' A' ' 101' ' ' VAL . 32.2 mmt -62.83 -29.22 70.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 111.039 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 96' ' ' ASP . 0.4 OUTLIER -83.41 -42.31 17.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.594 HD21 HG11 ' A' ' 79' ' ' VAL . 0.1 OUTLIER -63.85 -28.57 69.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.1 . . . . 0.0 109.267 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.498 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.5 OUTLIER -87.26 -49.66 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.349 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.498 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -60.73 -34.1 73.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.353 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.42 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 5.5 mmm180 -72.48 -66.8 0.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 110.259 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -49.01 -56.5 8.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.494 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 17.3 t80 -38.35 -57.71 1.09 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 111.046 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -41.01 -56.77 2.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 110' ' ' ASN . 12.1 ttt180 -67.77 -58.18 5.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.346 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -36.96 -40.86 0.31 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 111.032 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 112' ' ' CYS . 1.8 mtmt -62.91 -51.73 65.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.345 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.597 ' C ' ' ND2' ' A' ' 110' ' ' ASN . 0.0 OUTLIER -45.51 -36.26 4.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -83.04 -30.5 28.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.307 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' CYS . . . . . 0.455 ' N ' ' O ' ' A' ' 109' ' ' LYS . 0.5 OUTLIER -63.94 -54.68 30.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 108.281 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.3 -58.46 2.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -39.54 107.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.325 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.75 126.04 2.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 109.33 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 117' ' ' ARG . 0.9 OUTLIER -172.85 -49.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 116' ' ' GLU . 49.0 mtm180 -35.56 137.93 0.17 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.115 . . . . 0.0 110.285 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.511 ' OE2' HD11 ' A' ' 120' ' ' ILE . 2.0 mt-10 -44.87 169.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -113.68 32.13 6.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.511 HD11 ' OE2' ' A' ' 118' ' ' GLU . 83.9 mt -79.08 109.28 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 55.87 88.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.21 145.74 4.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -136.79 89.02 2.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -48.03 135.39 12.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 6.9 p -174.1 138.0 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.031 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -141.25 96.53 0.2 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.572 1.17 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 175.0 11.82 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.443 1.76 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 77.4 p -158.67 105.08 1.81 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.008 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 36.4 m -166.14 164.18 17.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.984 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.539 1.149 . . . . 0.0 110.977 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.43 135.29 45.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 0.74 . . . . 0.0 110.007 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -94.45 90.74 6.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 109.988 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.65 151.23 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.536 1.147 . . . . 0.0 110.993 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.7 p -120.02 -65.99 1.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 0.733 . . . . 0.0 110.01 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -170.44 163.62 8.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.992 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.93 177.77 54.26 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 131.8 14.72 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.474 1.776 . . . . 0.0 110.956 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 t -132.25 115.93 27.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.81 -42.82 3.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.58 ' O ' HG13 ' A' ' 38' ' ' VAL . 14.1 t -149.38 106.05 3.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 108.312 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.62 135.39 33.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.029 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.562 HG21 ' CA ' ' A' ' 28' ' ' GLY . 57.5 t -90.47 133.27 32.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.746 HG21 ' CD2' ' A' ' 49' ' ' LEU . 3.0 mm -110.1 110.84 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.581 HG22 ' O ' ' A' ' 17' ' ' ASN . 0.3 OUTLIER -125.85 97.17 4.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 109.349 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.649 HG12 ' CD1' ' A' ' 43' ' ' LEU . 10.8 m -68.96 -39.15 79.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.581 ' O ' HG22 ' A' ' 15' ' ' VAL . 4.7 m120 -79.93 173.08 12.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -111.22 -32.15 6.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -50.94 -38.9 53.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.665 HG21 ' O ' ' A' ' 68' ' ' THR . 5.6 p -86.45 50.19 1.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.371 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.462 ' HE3' ' CZ ' ' A' ' 42' ' ' PHE . 1.6 tttt -87.49 -40.99 13.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.32 -32.94 29.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.494 ' HE1' HG23 ' A' ' 67' ' ' ILE . 17.3 t80 -72.69 -54.57 8.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.962 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.742 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -58.02 -38.98 77.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.877 ' CG ' HD22 ' A' ' 40' ' ' LEU . 6.0 mt-10 -62.8 -12.16 22.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 29' ' ' ARG . 5.1 t -87.45 -67.67 0.81 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.108 . . . . 0.0 109.958 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.802 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -50.35 -29.16 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.665 ' O ' HG11 ' A' ' 38' ' ' VAL . . . -71.39 -23.52 77.96 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 0.0 110.941 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 26' ' ' SER . 3.5 ptm180 -93.02 -33.55 14.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 110.272 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.07 -33.55 26.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.96 ' HB ' HG21 ' A' ' 38' ' ' VAL . 19.1 t -77.8 -28.88 15.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 29' ' ' ARG . 27.9 mtm180 -73.43 -31.74 63.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -59.81 -18.01 40.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.5 OUTLIER -90.86 -11.68 38.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.97 25.67 11.15 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.499 1.124 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 89.3 mtp -108.25 135.33 49.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 0.784 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.4 t -65.91 123.56 19.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.96 HG21 ' HB ' ' A' ' 31' ' ' VAL . 86.0 t -136.46 150.98 27.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 0.0 109.278 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -142.87 168.2 20.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.877 HD22 ' CG ' ' A' ' 25' ' ' GLU . 0.8 OUTLIER -115.43 128.58 56.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.453 ' O ' HG13 ' A' ' 15' ' ' VAL . 18.5 mt -111.02 110.09 30.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.261 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.462 ' CZ ' ' HE3' ' A' ' 21' ' ' LYS . 41.5 m-85 -97.66 125.77 42.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.649 ' CD1' HG12 ' A' ' 16' ' ' VAL . 0.4 OUTLIER -117.12 71.24 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -86.94 83.7 7.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.351 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 95.9 m 60.47 56.14 3.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.385 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -130.38 -67.11 0.74 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 110.266 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.614 HG23 HD22 ' A' ' 43' ' ' LEU . 33.2 m -138.0 179.02 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.2 t -94.25 174.0 7.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.014 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.746 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.4 OUTLIER -58.23 -62.22 1.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.26 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 85.8 p -44.98 -48.23 11.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.986 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -45.51 -32.53 2.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 1.011 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -87.1 -40.82 14.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.406 ' HG ' HD22 ' A' ' 49' ' ' LEU . 54.4 mt -58.86 -44.59 91.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -61.43 -34.49 75.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -80.89 -31.28 35.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 1.011 HG23 ' O ' ' A' ' 52' ' ' ALA . 69.8 t -60.1 -47.47 91.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -63.83 0.99 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 110.011 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.449 ' CG ' ' N ' ' A' ' 59' ' ' GLY . 0.3 OUTLIER -51.83 -39.32 58.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.274 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.449 ' N ' ' CG ' ' A' ' 58' ' ' ARG . . . -61.71 -32.16 80.62 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 127.08 -35.08 2.94 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.679 ' CB ' HG13 ' A' ' 56' ' ' VAL . 1.2 m -39.12 112.23 0.71 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.513 0.772 . . . . 0.0 110.046 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.1 Cg_endo -75.07 -41.59 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 110.967 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.573 ' CE1' HG12 ' A' ' 81' ' ' ILE . 14.3 m-30 -113.75 146.79 39.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 111.02 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.734 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -138.14 126.51 23.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.443 HG22 HG12 ' A' ' 67' ' ' ILE . 6.1 mt -97.52 130.53 46.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.6 HG22 HD11 ' A' ' 49' ' ' LEU . 0.5 OUTLIER -94.67 121.57 45.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.584 1.177 . . . . 0.0 109.331 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.802 HD11 HG11 ' A' ' 27' ' ' VAL . 4.4 mm -125.91 131.39 71.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.665 ' O ' HG21 ' A' ' 20' ' ' THR . 38.3 p -146.63 -165.73 2.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.391 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.24 -64.74 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.922 ' HA ' HD12 ' A' ' 73' ' ' ILE . 1.1 tt0 -46.67 -56.27 6.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.338 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.479 ' CE1' ' CG1' ' A' ' 66' ' ' VAL . 11.3 m80 -40.25 -55.43 2.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.619 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -39.12 -41.84 0.87 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.922 HD12 ' HA ' ' A' ' 70' ' ' GLN . 8.3 mt -64.03 -50.61 76.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.427 ' N ' ' O ' ' A' ' 71' ' ' HIS . 31.6 m-70 -76.12 -1.75 27.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.586 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 71' ' ' HIS . 0.1 OUTLIER 46.44 26.17 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.265 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -123.8 155.66 37.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.517 ' HB3' HD13 ' A' ' 67' ' ' ILE . 1.6 p -127.98 172.88 10.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 108.307 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.406 ' HB ' ' CG1' ' A' ' 66' ' ' VAL . 23.0 m -112.02 117.49 32.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.365 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.455 HG11 HD21 ' A' ' 100' ' ' LEU . 86.3 t -89.8 126.68 42.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -127.53 117.17 21.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.573 HG12 ' CE1' ' A' ' 63' ' ' PHE . 33.6 mt -83.77 145.11 8.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 62' ' ' PRO . 4.9 mmt -111.52 -23.8 10.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.473 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.3 OUTLIER -104.27 157.67 16.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 62.13 -171.21 10.3 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.76 HG23 ' HD2' ' A' ' 86' ' ' PRO . 2.5 m -41.06 146.55 0.48 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 0.773 . . . . 0.0 110.41 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.76 ' HD2' HG23 ' A' ' 85' ' ' THR . 18.1 Cg_endo -75.07 89.9 1.13 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.463 1.77 . . . . 0.0 110.933 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -109.63 113.99 27.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -112.92 109.31 18.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.421 ' CE1' ' CD1' ' A' ' 100' ' ' LEU . 40.8 m-70 -95.67 112.25 24.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.605 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -102.09 140.99 35.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.8 t30 54.54 92.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 13.1 mmm -139.58 137.22 18.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 144.75 30.54 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.546 1.814 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.481 ' CG ' HG23 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -39.0 -71.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.322 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -37.46 -62.14 0.54 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.44 -59.52 2.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -48.31 -48.5 35.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.407 ' SD ' ' O ' ' A' ' 94' ' ' GLN . 0.0 OUTLIER -58.42 -27.02 63.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.957 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.432 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.5 OUTLIER -85.55 -46.12 17.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.455 HD21 HG11 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -62.98 -28.58 70.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.478 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.8 OUTLIER -84.03 -48.13 17.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.478 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -63.48 -31.03 72.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.432 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 1.6 mmm180 -74.82 -58.69 3.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -56.69 -52.66 64.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.516 ' CZ ' ' HD3' ' A' ' 109' ' ' LYS . 26.3 t80 -41.93 -53.49 3.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.58 1.175 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -44.25 -64.14 0.74 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 110' ' ' ASN . 0.0 OUTLIER -48.6 -60.95 2.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 110.338 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -45.28 -30.97 1.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 111.021 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.516 ' HD3' ' CZ ' ' A' ' 105' ' ' TYR . 0.2 OUTLIER -77.46 -40.67 42.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 107' ' ' ARG . 60.3 m-20 -47.13 -41.49 17.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -87.31 -24.46 24.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.337 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 115' ' ' LYS . 10.5 t -64.58 -54.84 25.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 108.305 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 3.6 tmm_? -47.08 -24.66 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.258 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.72 -40.12 56.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 112' ' ' CYS . 0.0 OUTLIER -98.25 59.59 1.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 117' ' ' ARG . 0.3 OUTLIER -178.24 156.67 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -35.5 120.37 0.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.334 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -44.49 157.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.293 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -108.81 40.13 1.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 8.7 mt -40.51 103.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -174.85 58.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.414 ' HB3' ' NH1' ' A' ' 122' ' ' ARG . 2.2 ptp180 -73.83 137.29 43.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.266 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -157.91 -59.02 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -174.22 176.17 2.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 73.8 p -159.33 166.23 31.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.979 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -154.94 133.66 3.91 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 178.98 6.52 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.46 1.768 . . . . 0.0 111.027 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 5.5 t -138.94 -58.58 0.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.986 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.33 155.85 19.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.024 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.475 1.11 . . . . 0.0 110.958 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 m 61.14 144.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 0.796 . . . . 0.0 110.027 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.0 p -91.12 145.96 24.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.013 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.55 -164.01 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.556 1.16 . . . . 0.0 111.041 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.5 t -66.23 98.97 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 0.767 . . . . 0.0 110.025 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.74 75.76 1.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.997 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.02 155.14 10.26 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.462 1.102 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.467 ' CG ' ' HA3' ' A' ' 60' ' ' GLY . 18.4 Cg_endo -74.95 50.56 2.54 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.521 1.8 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 8' ' ' PRO . 34.5 t 58.8 151.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.419 ' HB2' ' N ' ' A' ' 37' ' ' VAL . 0.6 OUTLIER -103.35 -32.3 9.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.578 ' O ' HG13 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -145.0 97.16 2.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 108.344 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.2 p -81.76 121.77 26.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.467 ' CG1' HG13 ' A' ' 67' ' ' ILE . 62.4 t -87.86 116.65 30.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.626 HG21 ' CD2' ' A' ' 49' ' ' LEU . 2.1 mm -100.16 105.78 18.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -111.15 95.99 4.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.061 HG12 HD12 ' A' ' 43' ' ' LEU . 11.1 m -80.66 66.16 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 167.93 127.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -51.85 -24.93 6.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.437 ' C ' ' N ' ' A' ' 21' ' ' LYS . 2.1 mm-40 -74.07 -165.03 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.348 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.583 HG21 ' O ' ' A' ' 68' ' ' THR . 1.3 p 39.94 29.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.355 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.437 ' N ' ' C ' ' A' ' 19' ' ' GLN . 4.8 tttt -63.75 -59.29 4.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -60.08 -52.61 64.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.252 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -49.74 -57.12 7.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.751 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -58.31 -38.06 76.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.851 ' CG ' HD22 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -66.18 -9.72 34.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 29' ' ' ARG . 4.2 t -91.39 -70.25 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.957 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.611 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -43.2 -29.11 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.782 ' CA ' HG11 ' A' ' 38' ' ' VAL . . . -72.71 -43.35 43.44 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.457 1.098 . . . . 0.0 110.951 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.477 ' CG ' ' N ' ' A' ' 30' ' ' LYS . 4.5 ptm180 -69.85 -40.99 75.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.754 . . . . 0.0 110.341 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.477 ' N ' ' CG ' ' A' ' 29' ' ' ARG . 8.6 mptt -46.01 -42.19 12.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.789 ' HB ' HG21 ' A' ' 38' ' ' VAL . 48.7 t -67.05 -35.53 74.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 29' ' ' ARG . 15.0 mtp180 -64.37 -31.32 72.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -61.81 -21.07 64.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.7 OUTLIER -89.04 -10.7 46.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.26 35.6 5.69 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.674 ' HB2' HG12 ' A' ' 31' ' ' VAL . 80.8 mtp -119.8 135.25 54.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.763 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.419 ' N ' ' HB2' ' A' ' 10' ' ' ASP . 22.3 t -65.49 123.17 17.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.789 HG21 ' HB ' ' A' ' 31' ' ' VAL . 30.7 t -128.84 148.96 33.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -143.96 167.16 23.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.851 HD22 ' CG ' ' A' ' 25' ' ' GLU . 1.5 mp -119.87 129.09 54.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 31.2 mt -118.94 107.92 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.415 ' CZ ' ' HE3' ' A' ' 21' ' ' LYS . 63.8 m-85 -90.41 124.71 35.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 1.061 HD12 HG12 ' A' ' 16' ' ' VAL . 4.6 mt -115.13 -65.96 1.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.091 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 60.7 -83.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.673 HG22 ' O ' ' A' ' 45' ' ' THR . 8.1 m -119.02 35.44 4.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.411 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -116.08 111.43 20.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 41.92 -145.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.9 t -114.94 165.71 12.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.001 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.626 ' CD2' HG21 ' A' ' 14' ' ' ILE . 1.0 OUTLIER -60.02 -50.74 72.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 84.1 p -45.28 -47.75 12.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -43.52 -31.41 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.302 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.13 -44.44 15.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.408 ' HG ' ' CD2' ' A' ' 49' ' ' LEU . 93.1 mt -59.94 -39.55 85.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -65.03 -24.47 67.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.266 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 59' ' ' GLY . 12.4 t0 -89.19 -26.02 21.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.63 HG13 ' CB ' ' A' ' 61' ' ' SER . 10.7 t -64.72 -60.8 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.31 -57.89 10.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.006 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.35 -36.51 73.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 55' ' ' ASP . . . -67.27 -32.62 80.26 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.467 ' HA3' ' CG ' ' A' ' 8' ' ' PRO . . . 131.46 -45.56 1.12 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.63 ' CB ' HG13 ' A' ' 56' ' ' VAL . 1.6 m -35.65 114.14 0.54 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.757 . . . . 0.0 109.978 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.4 Cg_endo -74.97 -39.62 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.492 1.785 . . . . 0.0 111.018 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.573 ' CE1' HG12 ' A' ' 81' ' ' ILE . 14.4 m-30 -112.44 152.7 28.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.623 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -145.1 132.32 20.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.7 mt -99.27 141.63 16.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.494 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 0.5 OUTLIER -107.13 127.67 62.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.355 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.751 HG21 ' HB2' ' A' ' 24' ' ' ALA . 4.6 mm -126.13 136.47 60.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.583 ' O ' HG21 ' A' ' 20' ' ' THR . 67.4 p -147.71 -148.79 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.424 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -89.55 -62.83 1.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.717 ' HA ' HD12 ' A' ' 73' ' ' ILE . 24.6 tt0 -54.23 -42.9 70.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.246 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.494 ' CE1' ' CG1' ' A' ' 66' ' ' VAL . 6.2 m170 -50.87 -30.58 14.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.586 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -68.31 -47.59 67.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 110.27 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.717 HD12 ' HA ' ' A' ' 70' ' ' GLN . 3.7 mt -60.43 -49.63 83.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.142 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 54.9 m-70 -79.98 -4.88 54.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.664 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 71' ' ' HIS . 0.0 OUTLIER 48.7 28.5 1.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.318 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.476 ' O ' ' CD2' ' A' ' 71' ' ' HIS . 1.1 p -115.3 155.72 26.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.025 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.6 p -132.81 175.42 9.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 108.281 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 24.0 m -114.98 113.97 24.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.372 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.433 HG11 ' CD2' ' A' ' 100' ' ' LEU . 77.0 t -90.01 110.17 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -108.63 129.49 55.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.573 HG12 ' CE1' ' A' ' 63' ' ' PHE . 41.3 mt -95.57 144.39 10.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 62' ' ' PRO . 12.1 mmt -106.85 -27.24 10.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.95 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.493 ' O ' ' CG2' ' A' ' 81' ' ' ILE . 0.4 OUTLIER -104.92 146.34 29.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.0 -170.12 54.52 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.729 HG23 ' HD2' ' A' ' 86' ' ' PRO . 2.7 m -46.67 146.48 2.53 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 0.0 110.373 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.729 ' HD2' HG23 ' A' ' 85' ' ' THR . 18.2 Cg_endo -75.03 95.94 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.526 1.803 . . . . 0.0 110.988 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -111.04 133.86 53.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.34 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -128.91 99.9 5.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.403 ' CD2' HD11 ' A' ' 100' ' ' LEU . 68.6 m-70 -86.45 110.51 19.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.629 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -101.18 132.46 46.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.308 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.4 m120 60.88 93.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.455 ' CE ' ' HB3' ' A' ' 96' ' ' ASP . 12.7 mmm -141.35 134.88 14.6 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 139.53 24.32 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.466 1.771 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.488 ' CG ' HG23 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -38.11 -62.87 0.53 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 110.344 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -38.95 -58.78 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.455 ' HB3' ' CE ' ' A' ' 92' ' ' MET . 0.6 OUTLIER -56.2 -56.55 19.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -46.2 -45.34 16.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.426 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 32.5 mmt -61.86 -29.43 70.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.952 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.486 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.4 OUTLIER -82.73 -44.32 19.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.433 ' CD2' HG11 ' A' ' 79' ' ' VAL . 0.1 OUTLIER -63.83 -28.5 69.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.503 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.7 OUTLIER -86.91 -49.76 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.503 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -60.42 -30.29 69.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.486 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 2.2 mmm180 -78.86 -57.8 3.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -57.74 -51.94 67.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.51 ' CZ ' ' HD3' ' A' ' 109' ' ' LYS . 18.5 t80 -41.95 -48.29 4.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -48.37 -63.37 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 110' ' ' ASN . 0.0 OUTLIER -47.3 -58.05 4.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.289 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -46.66 -31.54 2.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.51 ' HD3' ' CZ ' ' A' ' 105' ' ' TYR . 0.7 OUTLIER -80.22 -36.92 34.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 107' ' ' ARG . 29.5 m-20 -49.69 -24.12 2.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -63.68 -27.04 68.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 67.1 m -88.58 -55.73 3.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 108.319 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.62 -47.99 3.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -103.38 -161.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 29.8 mttt 60.39 -170.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 117' ' ' ARG . 0.8 OUTLIER -43.91 108.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 116' ' ' GLU . 2.7 mtm180 -35.5 129.41 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.279 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.43 ' CD ' HD11 ' A' ' 120' ' ' ILE . 1.9 tt0 -44.41 168.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -112.57 33.67 4.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.305 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.577 HG22 ' N ' ' A' ' 121' ' ' ALA . 15.7 mt -62.35 -113.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.249 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.577 ' N ' HG22 ' A' ' 120' ' ' ILE . . . 69.64 161.69 0.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 31.6 mtt180 58.04 85.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.08 137.83 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.92 145.21 38.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.9 163.46 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.977 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 163.09 102.88 0.17 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 150.97 38.91 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.53 1.805 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 39.0 t -83.76 85.57 7.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.976 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 11.7 p -60.33 126.96 29.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.994 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.1 108.11 6.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 109.959 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.9 t 59.85 156.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.01 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.03 -68.72 0.54 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.523 1.139 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m 53.79 85.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.776 . . . . 0.0 109.991 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.93 89.94 1.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.037 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.52 177.25 1.92 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.541 1.151 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 137.89 22.34 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.497 1.788 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.442 HG12 ' C ' ' A' ' 11' ' ' CYS . 70.5 t -127.44 113.8 33.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -42.16 -42.05 2.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.587 ' SG ' HD12 ' A' ' 65' ' ' ILE . 49.4 t -148.69 110.73 4.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 108.3 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.5 m -96.82 133.29 41.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.042 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.462 HG21 ' CA ' ' A' ' 28' ' ' GLY . 61.6 t -88.47 127.35 41.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.574 HG21 ' CD2' ' A' ' 49' ' ' LEU . 2.2 mm -107.83 107.82 23.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -118.08 96.9 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.954 HG12 HD12 ' A' ' 43' ' ' LEU . 12.2 m -78.74 55.76 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -178.94 -171.12 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -122.35 -43.18 2.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.69 -43.1 1.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.45 HG22 ' HG3' ' A' ' 72' ' ' GLN . 2.2 p -89.42 52.68 2.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.39 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.452 ' HE3' ' CZ ' ' A' ' 42' ' ' PHE . 7.0 tttt -89.08 -47.9 7.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.77 -46.12 59.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.494 ' HE1' HD12 ' A' ' 67' ' ' ILE . 16.3 t80 -58.89 -56.88 16.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.08 -42.86 73.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.253 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.851 ' HG2' HD22 ' A' ' 40' ' ' LEU . 3.7 mt-10 -59.82 -14.27 14.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.281 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' ARG . 4.6 t -86.67 -67.38 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.794 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -49.47 -28.67 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.599 ' O ' HG11 ' A' ' 38' ' ' VAL . . . -71.45 -27.44 71.38 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.0 OUTLIER -91.61 -31.26 15.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 110.291 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.85 -40.81 61.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.945 ' HB ' HG21 ' A' ' 38' ' ' VAL . 52.2 t -70.4 -31.47 46.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.409 ' CZ ' ' HA ' ' A' ' 29' ' ' ARG . 87.9 mtm-85 -69.23 -32.57 71.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.297 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -60.05 -17.39 38.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.5 OUTLIER -92.38 -12.68 31.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.86 28.56 8.21 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.667 ' HB2' HG12 ' A' ' 31' ' ' VAL . 90.8 mtp -112.01 135.06 53.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.769 . . . . 0.0 111.018 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.8 t -66.02 123.66 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.945 HG21 ' HB ' ' A' ' 31' ' ' VAL . 96.4 t -135.82 152.39 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -143.98 168.38 20.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.851 HD22 ' HG2' ' A' ' 25' ' ' GLU . 0.9 OUTLIER -114.69 128.46 56.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.498 ' CG2' HD21 ' A' ' 43' ' ' LEU . 10.0 mt -112.72 110.93 34.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.452 ' CZ ' ' HE3' ' A' ' 21' ' ' LYS . 40.2 m-85 -97.16 135.54 38.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 111.03 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.954 HD12 HG12 ' A' ' 16' ' ' VAL . 1.0 OUTLIER -133.69 135.03 43.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -174.58 120.95 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.7 p 44.2 39.85 3.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.4 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -138.7 -69.32 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 110.265 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 30.6 m -136.28 179.75 3.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.3 t -103.07 167.54 9.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.014 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.674 ' HB2' HG11 ' A' ' 16' ' ' VAL . 0.5 OUTLIER -53.56 -54.79 32.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.405 1.065 . . . . 0.0 109.271 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 96.3 p -48.34 -44.29 34.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.995 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -48.5 -35.05 12.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.306 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.611 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -79.35 -38.17 35.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.434 ' HG ' ' CD2' ' A' ' 49' ' ' LEU . 47.9 mt -63.01 -42.99 99.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.592 1.182 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -60.2 -31.71 70.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.148 . . . . 0.0 110.345 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.45 ' OD1' ' NE ' ' A' ' 58' ' ' ARG . 8.9 t0 -83.61 -22.68 32.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.772 HG11 ' HB2' ' A' ' 64' ' ' ALA . 12.2 t -69.21 -41.27 81.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.43 -55.97 5.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.036 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.45 ' NE ' ' OD1' ' A' ' 55' ' ' ASP . 16.1 ptt85 -60.45 -36.69 78.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.407 ' N ' ' CG ' ' A' ' 58' ' ' ARG . . . -65.32 -31.96 82.16 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.125 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 121.62 -28.24 6.02 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.669 ' HB3' HG13 ' A' ' 56' ' ' VAL . 1.0 OUTLIER -39.85 113.39 0.89 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.561 0.801 . . . . 0.0 110.018 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.414 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.4 Cg_endo -75.01 -38.26 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.49 1.784 . . . . 0.0 111.048 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.558 ' CD1' HG12 ' A' ' 81' ' ' ILE . 13.8 m-30 -114.99 152.32 32.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 111.064 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.772 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -142.33 123.05 14.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.587 HD12 ' SG ' ' A' ' 11' ' ' CYS . 7.1 mt -95.34 133.33 36.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.243 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.488 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 0.8 OUTLIER -101.32 125.62 55.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.794 HD11 HG11 ' A' ' 27' ' ' VAL . 4.3 mm -125.35 155.38 34.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.713 HG23 ' N ' ' A' ' 69' ' ' GLN . 0.6 OUTLIER -178.9 -170.21 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.391 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.713 ' N ' HG23 ' A' ' 68' ' ' THR . 80.4 mt-30 -57.05 -65.17 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.26 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.437 ' HA ' HD12 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -51.49 -62.23 1.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.287 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.488 ' NE2' ' CG1' ' A' ' 66' ' ' VAL . 89.1 m-70 -39.11 -39.03 0.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.612 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.45 ' HG3' HG22 ' A' ' 20' ' ' THR . 1.5 tt0 -60.15 -58.14 9.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.437 HD12 ' HA ' ' A' ' 70' ' ' GLN . 11.0 mt -51.03 -69.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -56.08 -19.9 14.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.618 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 71' ' ' HIS . 0.0 OUTLIER 65.12 25.83 12.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.439 ' OG ' ' HA ' ' A' ' 93' ' ' PRO . 32.5 m -122.69 146.95 47.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.012 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.615 ' HB3' HD13 ' A' ' 67' ' ' ILE . 1.8 p -125.56 175.08 7.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 108.301 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.493 ' CG2' ' HB3' ' A' ' 90' ' ' ARG . 20.3 m -109.89 118.86 37.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.382 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.426 ' N ' ' O ' ' A' ' 89' ' ' HIS . 72.6 t -90.22 113.11 25.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -112.42 128.17 56.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.558 HG12 ' CD1' ' A' ' 63' ' ' PHE . 43.0 mt -94.21 144.35 9.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.649 ' HG3' HG12 ' A' ' 56' ' ' VAL . 13.4 mmt -107.22 -26.83 10.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.983 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.589 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -89.48 149.67 22.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.978 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 58.28 -165.19 7.63 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.75 HG23 ' HD2' ' A' ' 86' ' ' PRO . 2.5 m -44.03 146.49 1.08 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.542 0.789 . . . . 0.0 110.411 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.75 ' HD2' HG23 ' A' ' 85' ' ' THR . 18.1 Cg_endo -75.04 101.87 1.52 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.533 1.807 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -111.32 120.18 41.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -115.56 116.11 27.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.318 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.426 ' O ' ' N ' ' A' ' 79' ' ' VAL . 60.2 m-70 -116.63 109.39 17.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.6 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.493 ' HB3' ' CG2' ' A' ' 78' ' ' THR . 0.0 OUTLIER -117.94 166.59 12.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.338 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 63.96 16.61 10.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 18.3 mmm -82.77 133.66 48.61 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 111.034 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.439 ' HA ' ' OG ' ' A' ' 76' ' ' SER . 18.1 Cg_endo -75.03 145.73 31.7 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.45 1.763 . . . . 0.0 110.973 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.498 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 0.1 OUTLIER -37.29 -71.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 98' ' ' MET . . . -37.68 -71.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -40.8 -48.79 3.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 94' ' ' GLN . . . -56.63 -46.25 81.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -62.06 -23.44 66.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -86.24 -48.37 15.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.433 ' N ' HG12 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -59.97 -28.03 67.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.494 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.8 OUTLIER -85.37 -49.63 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.494 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -56.29 -27.91 56.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 104' ' ' ASN . 9.6 mmm-85 -85.28 -72.48 0.48 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 110.301 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 103' ' ' ARG . 7.7 m-80 -39.11 -46.97 1.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.481 ' CE2' ' HG2' ' A' ' 36' ' ' MET . 2.8 t80 -46.81 -60.25 2.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.974 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -56.23 -39.52 72.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 110' ' ' ASN . 1.1 mtt180 -64.95 -58.57 5.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -41.42 -29.96 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 112' ' ' CYS . 1.0 OUTLIER -79.75 -45.99 17.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 107' ' ' ARG . 99.8 m-20 -44.65 -33.89 1.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.352 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -93.48 -26.42 17.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 109' ' ' LYS . 19.5 t -62.79 -70.3 0.21 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 108.337 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -39.4 -50.86 2.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.27 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -63.39 89.12 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.333 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.8 tptt -82.0 99.92 9.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 68.73 142.3 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.19 113.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -44.09 167.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.265 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -116.88 38.1 3.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 4.6 mt -41.72 118.37 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -168.13 83.65 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.64 142.76 14.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.315 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -116.19 148.06 40.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -88.84 132.32 34.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 13.4 m -153.59 119.43 5.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.01 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 162.41 139.26 2.6 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 147.78 34.4 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.466 1.772 . . . . 0.0 111.01 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 38.0 m -129.5 142.13 50.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.001 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.4 t -129.23 82.45 2.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.983 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.577 1.173 . . . . 0.0 110.975 179.959 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 t -116.73 98.85 6.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 0.747 . . . . 0.0 109.998 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 m -90.99 75.69 6.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.005 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.74 -122.82 7.26 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.491 1.12 . . . . 0.0 111.044 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 t 71.44 117.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 0.735 . . . . 0.0 109.958 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.39 79.07 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.011 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.35 160.94 33.66 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 170.62 20.02 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.482 1.78 . . . . 0.0 111.03 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 73.4 t -150.64 140.57 15.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -72.0 -45.54 60.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 109.334 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.67 ' O ' HG13 ' A' ' 38' ' ' VAL . 7.4 t -149.0 104.88 3.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 108.321 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.7 m -86.55 139.99 30.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.034 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.451 ' CG1' HG13 ' A' ' 67' ' ' ILE . 87.6 t -99.64 120.6 49.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.744 HG21 HD23 ' A' ' 49' ' ' LEU . 2.7 mm -99.18 117.37 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -123.59 103.25 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.237 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.043 HG12 HD12 ' A' ' 43' ' ' LEU . 28.6 m -86.69 60.56 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 172.67 -178.75 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.53 -42.86 3.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -45.0 -45.11 10.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.282 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.469 ' CG2' ' HB2' ' A' ' 72' ' ' GLN . 1.3 p -86.16 49.46 1.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.16 . . . . 0.0 110.347 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -86.9 -54.98 4.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -64.84 -50.96 64.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -51.8 -57.27 9.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.875 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -58.72 -39.09 79.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.9 ' CG ' HD22 ' A' ' 40' ' ' LEU . 2.5 mt-10 -62.01 -13.12 22.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 29' ' ' ARG . 5.7 t -89.01 -66.51 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.99 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.781 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -43.16 -30.76 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.158 . . . . 0.0 109.302 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.704 ' HA2' HG11 ' A' ' 38' ' ' VAL . . . -67.92 -43.24 83.48 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.138 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.505 ' CG ' ' N ' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -68.84 -42.35 77.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 0.0 110.354 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.505 ' N ' ' CG ' ' A' ' 29' ' ' ARG . 0.2 OUTLIER -46.48 -42.43 15.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.972 ' HB ' HG21 ' A' ' 38' ' ' VAL . 51.2 t -69.12 -34.53 63.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 29' ' ' ARG . 7.4 mtm180 -68.67 -31.82 71.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -60.67 -17.54 48.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.7 OUTLIER -92.16 -11.46 35.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.81 28.72 8.61 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.464 1.102 . . . . 0.0 111.022 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.574 ' HB2' HG12 ' A' ' 31' ' ' VAL . 90.0 mtp -113.45 132.19 55.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.53 123.47 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.972 HG21 ' HB ' ' A' ' 31' ' ' VAL . 73.8 t -133.31 149.2 31.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.137 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -140.83 168.61 19.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.9 HD22 ' CG ' ' A' ' 25' ' ' GLU . 0.9 OUTLIER -116.73 127.91 54.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.8 mt -114.0 110.4 31.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.339 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -96.83 133.55 41.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 1.043 HD12 HG12 ' A' ' 16' ' ' VAL . 1.3 mt -120.63 -76.03 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.3 t30 68.87 -67.1 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.477 ' O ' ' C ' ' A' ' 46' ' ' GLU . 44.5 m -130.48 -41.21 1.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.459 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 45' ' ' THR . 1.4 mt-10 -33.1 -77.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.862 HG23 HD22 ' A' ' 43' ' ' LEU . 25.2 m -130.28 -172.3 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -108.19 -178.12 3.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.026 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.744 HD23 HG21 ' A' ' 14' ' ' ILE . 0.5 OUTLIER -58.8 -59.36 5.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 53' ' ' LEU . 83.1 p -44.96 -56.98 4.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.023 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -40.82 -32.15 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.759 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -88.35 -41.3 12.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 50' ' ' SER . 57.9 mt -58.18 -48.37 80.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -56.97 -30.08 63.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.272 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.406 ' HA ' ' CD ' ' A' ' 58' ' ' ARG . 54.9 t0 -82.51 -32.27 28.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 52' ' ' ALA . 75.0 t -58.13 -59.13 3.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 60' ' ' GLY . 0.0 OUTLIER -59.0 -63.37 1.33 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.415 1.072 . . . . 0.0 109.99 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.409 ' CG ' ' N ' ' A' ' 59' ' ' GLY . 19.1 ptt180 -48.41 -36.0 13.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.409 ' N ' ' CG ' ' A' ' 58' ' ' ARG . . . -69.66 -25.94 74.99 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.133 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 57' ' ' SER . . . 113.59 -24.8 11.72 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.602 ' CB ' HG13 ' A' ' 56' ' ' VAL . 2.7 m -39.65 115.42 1.04 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.54 0.788 . . . . 0.0 110.007 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -44.68 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.779 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.454 ' CE1' HG12 ' A' ' 81' ' ' ILE . 11.7 m-30 -115.5 147.21 40.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.676 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -139.37 126.84 21.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.0 mt -94.75 137.22 23.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.433 ' CG1' ' HB ' ' A' ' 78' ' ' THR . 0.5 OUTLIER -102.39 128.65 54.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.581 1.176 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.875 HG21 ' HB2' ' A' ' 24' ' ' ALA . 4.1 mm -126.66 146.04 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.705 HG22 ' CD2' ' A' ' 71' ' ' HIS . 4.6 t -172.29 154.94 3.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.414 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -41.02 -63.81 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.279 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.682 ' HA ' HD12 ' A' ' 73' ' ' ILE . 4.9 tp60 -42.44 -49.11 5.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.32 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.705 ' CD2' HG22 ' A' ' 68' ' ' THR . 16.3 m-70 -57.17 -54.44 46.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.635 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.469 ' HB2' ' CG2' ' A' ' 20' ' ' THR . 0.8 OUTLIER -38.67 -40.74 0.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.266 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.682 HD12 ' HA ' ' A' ' 70' ' ' GLN . 7.6 mt -63.62 -52.21 60.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.43 ' N ' ' O ' ' A' ' 71' ' ' HIS . 64.6 m-70 -75.83 -2.15 28.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.611 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 71' ' ' HIS . 0.0 OUTLIER 48.05 26.98 1.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.2 p -124.32 156.08 37.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.7 p -128.08 175.54 8.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 108.294 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 89' ' ' HIS . 93.5 m -116.92 120.23 37.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.414 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.502 HG11 HD21 ' A' ' 100' ' ' LEU . 61.6 t -90.71 116.27 31.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.2 116.23 29.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.454 HG12 ' CE1' ' A' ' 63' ' ' PHE . 27.2 mt -83.93 146.12 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 7.2 mmt -114.93 -27.68 7.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.593 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -91.16 150.09 21.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 53.66 -154.18 7.7 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.489 1.118 . . . . 0.0 110.963 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.411 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 3.1 m -49.93 129.27 21.74 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.515 0.774 . . . . 0.0 110.405 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 85' ' ' THR . 18.3 Cg_endo -75.03 97.85 1.11 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.503 1.791 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -109.45 115.05 29.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -108.05 97.63 7.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.438 1.086 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.53 ' O ' HG23 ' A' ' 78' ' ' THR . 24.1 m80 -81.64 115.47 20.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.574 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.0 mtp85 -102.25 135.32 44.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.292 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 30.4 m-20 63.47 87.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 19.9 mmm -139.0 130.97 15.41 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 94' ' ' GLN . 18.2 Cg_endo -75.0 143.12 28.68 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.511 1.795 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -38.35 -64.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 110.285 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -38.24 -63.99 0.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -53.95 -49.78 67.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -50.49 -44.13 55.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.43 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 29.9 mmt -63.97 -27.67 69.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -83.05 -44.91 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.502 HD21 HG11 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -63.27 -28.08 69.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.504 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.8 OUTLIER -87.65 -49.6 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.504 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -58.51 -37.09 74.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 9.9 mmm-85 -71.74 -69.17 0.4 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 110.251 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -44.51 -57.84 3.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.549 ' CD2' ' SD ' ' A' ' 36' ' ' MET . 2.9 t80 -40.54 -53.58 2.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 109' ' ' LYS . 3.5 mm-40 -49.6 -70.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -42.7 -57.36 2.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.253 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -48.32 -28.88 3.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 106' ' ' GLU . 3.6 mtmt -81.35 -40.54 23.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.319 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -51.46 -32.8 28.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.335 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -84.37 -26.05 28.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.344 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' CYS . . . . . 0.4 ' O ' ' N ' ' A' ' 115' ' ' LYS . 68.7 m -61.92 -49.88 74.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 108.342 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.63 -34.42 0.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.52 -50.91 72.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 112' ' ' CYS . 0.0 OUTLIER -79.29 69.09 5.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 117' ' ' ARG . 1.8 mm-40 175.37 175.81 0.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.304 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 116' ' ' GLU . 33.9 mtp180 -35.26 141.58 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -44.25 163.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 121' ' ' ALA . 0.5 OUTLIER -116.36 40.51 2.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.339 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.515 HG22 ' O ' ' A' ' 120' ' ' ILE . 50.6 mt -68.11 69.94 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 119' ' ' GLU . . . -168.43 48.28 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.152 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -172.12 134.43 0.73 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.319 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -126.41 141.41 51.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -172.65 -177.9 1.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 6.3 m -104.81 172.28 6.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.012 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -106.31 108.17 2.87 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.529 1.143 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 178.67 6.95 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 55.8 p -112.18 171.07 7.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.967 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 93.9 p -128.26 173.93 9.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.132 . . . . 0.0 109.993 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.2 p -69.02 157.47 36.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 0.77 . . . . 0.0 109.995 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.6 p -141.61 109.49 5.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.955 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.18 -137.59 2.25 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.464 1.102 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.9 m -172.07 90.9 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 0.745 . . . . 0.0 109.996 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.6 p -172.44 130.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.949 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.45 179.56 22.13 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 145.79 31.98 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.538 1.809 . . . . 0.0 111.03 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 10' ' ' ASP . 51.5 t -140.33 117.76 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 9' ' ' VAL . 0.4 OUTLIER -40.7 -48.16 2.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.352 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.679 ' O ' HG13 ' A' ' 38' ' ' VAL . 25.4 t -148.89 104.83 3.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 108.314 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.83 145.47 24.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.0 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.582 HG21 ' CA ' ' A' ' 28' ' ' GLY . 95.3 t -97.74 129.7 47.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.758 HG21 ' CD2' ' A' ' 49' ' ' LEU . 2.8 mm -109.21 103.62 15.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.594 HG23 ' OG1' ' A' ' 20' ' ' THR . 1.4 p -112.69 97.07 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.314 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.81 HG12 HD12 ' A' ' 43' ' ' LEU . 13.0 m -72.79 -44.05 59.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -65.83 130.09 42.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.408 ' HB2' ' ND2' ' A' ' 44' ' ' ASN . 2.1 tptt -86.42 49.35 1.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 21' ' ' LYS . 0.6 OUTLIER -138.85 -47.39 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.764 HG21 ' O ' ' A' ' 68' ' ' THR . 41.5 p -69.71 59.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.422 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.471 ' HE3' ' CZ ' ' A' ' 42' ' ' PHE . 3.3 tttt -88.76 -34.89 16.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -90.33 -24.83 20.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.583 ' CE2' ' HA ' ' A' ' 72' ' ' GLN . 11.2 t80 -79.88 -53.21 6.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 111.044 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.403 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -60.98 -38.99 87.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.854 ' HG2' HD22 ' A' ' 40' ' ' LEU . 4.1 mt-10 -60.36 -13.99 16.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 29' ' ' ARG . 3.7 t -87.1 -69.37 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.045 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.58 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -49.59 -28.52 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.582 ' CA ' HG21 ' A' ' 13' ' ' VAL . . . -70.87 -28.48 70.59 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -91.42 -32.99 15.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 0.781 . . . . 0.0 110.287 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -49.49 -41.13 39.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.941 ' HB ' HG21 ' A' ' 38' ' ' VAL . 55.6 t -69.52 -35.08 64.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -65.44 -31.81 73.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -61.14 -18.81 60.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.488 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.5 OUTLIER -91.06 -11.65 38.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.74 28.84 8.56 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.451 1.095 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.661 ' HB2' HG12 ' A' ' 31' ' ' VAL . 95.4 mtp -112.65 134.21 54.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.784 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 45.2 t -65.66 123.1 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.941 HG21 ' HB ' ' A' ' 31' ' ' VAL . 80.2 t -135.31 150.66 29.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -141.68 167.67 21.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.854 HD22 ' HG2' ' A' ' 25' ' ' GLU . 1.1 mp -113.43 128.55 56.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.8 mt -115.3 104.7 17.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.471 ' CZ ' ' HE3' ' A' ' 21' ' ' LYS . 49.9 m-85 -91.27 125.23 35.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.81 HD12 HG12 ' A' ' 16' ' ' VAL . 1.5 mt -115.1 173.81 6.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.417 ' O ' ' N ' ' A' ' 46' ' ' GLU . 1.7 t-20 179.89 -160.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.0 m -57.0 88.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 110.411 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -171.69 -63.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.428 HG23 ' N ' ' A' ' 48' ' ' SER . 5.8 m -131.06 -156.95 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.428 ' N ' HG23 ' A' ' 47' ' ' VAL . 23.3 t -129.13 -173.81 3.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.538 1.149 . . . . 0.0 109.988 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.758 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.9 OUTLIER -63.64 -58.04 8.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 53' ' ' LEU . 66.4 p -41.5 -55.0 2.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.965 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 50' ' ' SER . 0.8 OUTLIER -38.57 -37.97 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 110.263 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.779 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -81.45 -44.6 17.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.137 . . . . 0.0 109.305 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 50' ' ' SER . 67.2 mt -57.27 -39.92 76.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.143 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -61.81 -32.44 72.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.287 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -84.6 -29.39 25.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 52' ' ' ALA . 79.5 t -60.39 -51.21 75.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 109.251 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 60' ' ' GLY . 0.3 OUTLIER -63.8 -64.07 0.99 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.155 . . . . 0.0 110.023 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.414 ' CG ' ' N ' ' A' ' 59' ' ' GLY . 2.5 ptm180 -48.17 -36.38 13.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.414 ' N ' ' CG ' ' A' ' 58' ' ' ARG . . . -67.1 -28.74 73.85 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 57' ' ' SER . . . 119.34 -28.29 6.61 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.6 ' CB ' HG13 ' A' ' 56' ' ' VAL . 0.4 OUTLIER -40.51 111.7 0.8 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 109.997 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.421 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.2 Cg_endo -75.01 -41.28 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.509 1.794 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.506 ' CD1' HG12 ' A' ' 81' ' ' ILE . 14.8 m-30 -112.9 147.25 37.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.676 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -141.55 124.75 16.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.474 HG23 ' HB2' ' A' ' 77' ' ' CYS . 30.1 mt -95.09 138.44 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.669 HG22 HD11 ' A' ' 49' ' ' LEU . 0.5 OUTLIER -102.97 130.92 52.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.58 HD11 HG11 ' A' ' 27' ' ' VAL . 3.4 mm -129.52 141.27 46.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.764 ' O ' HG21 ' A' ' 20' ' ' THR . 44.8 p -149.62 -147.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.377 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -90.03 -56.83 3.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -59.5 -46.64 88.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.441 ' O ' ' N ' ' A' ' 75' ' ' ARG . 7.2 m-70 -49.38 -32.09 10.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.569 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.583 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 4.5 tt0 -66.88 -46.15 75.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.278 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.4 mt -68.25 -50.49 57.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -70.97 -15.16 62.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.583 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 71' ' ' HIS . 2.4 mmm180 59.23 25.48 14.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.337 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.422 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 1.1 p -120.53 143.26 48.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.023 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.474 ' HB2' HG23 ' A' ' 65' ' ' ILE . 1.7 p -122.61 175.54 6.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 108.323 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.584 HG23 ' O ' ' A' ' 89' ' ' HIS . 50.7 m -115.44 115.03 25.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 86.6 t -90.37 118.61 35.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -117.16 121.08 40.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.506 HG12 ' CD1' ' A' ' 63' ' ' PHE . 39.3 mt -86.45 144.47 9.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 62' ' ' PRO . 11.0 mmt -106.26 -27.14 11.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.549 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -102.02 151.14 22.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.953 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.62 -175.83 36.66 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 110.972 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.722 HG23 ' HD2' ' A' ' 86' ' ' PRO . 2.6 m -41.11 146.44 0.5 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.542 0.79 . . . . 0.0 110.45 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.722 ' HD2' HG23 ' A' ' 85' ' ' THR . 18.4 Cg_endo -74.99 101.14 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.513 1.796 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -115.46 120.65 40.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -114.02 109.0 17.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.584 ' O ' HG23 ' A' ' 78' ' ' THR . 82.8 m-70 -95.64 111.81 23.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.591 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -100.65 139.18 36.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.282 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 51.34 96.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.465 ' CE ' ' HB3' ' A' ' 96' ' ' ASP . 14.3 mmm -140.92 133.34 14.24 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 92' ' ' MET . 18.4 Cg_endo -74.98 140.6 25.69 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.472 1.775 . . . . 0.0 111.025 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.3 OUTLIER -37.08 -66.37 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -37.29 -57.08 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.465 ' HB3' ' CE ' ' A' ' 92' ' ' MET . 0.4 OUTLIER -54.22 -60.65 3.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -44.87 -47.5 11.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.451 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 31.3 mmt -58.57 -32.59 69.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 111.038 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 96' ' ' ASP . 0.4 OUTLIER -81.5 -43.36 20.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.431 ' O ' ' ND2' ' A' ' 104' ' ' ASN . 0.1 OUTLIER -65.18 -29.49 70.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.493 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.7 OUTLIER -85.97 -49.06 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.493 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -60.74 -35.85 77.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.427 ' HB3' ' NH1' ' A' ' 103' ' ' ARG . 1.4 mmm180 -72.85 -62.13 1.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 110.329 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 100' ' ' LEU . 3.8 m-80 -51.58 -54.09 31.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.46 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 8.8 t80 -40.55 -54.14 2.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -44.96 -56.94 4.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 110' ' ' ASN . 0.0 OUTLIER -61.61 -54.6 40.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -42.82 -36.59 1.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt -71.83 -44.43 63.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 107' ' ' ARG . 34.3 m-20 -47.09 -35.54 7.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -93.21 -25.12 17.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.28 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 9.3 t -60.98 -66.7 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 108.328 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.52 -49.54 2.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.339 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -44.19 -85.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.301 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 77.99 134.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -40.86 122.4 1.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 62.93 132.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -44.37 167.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 110.278 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -112.23 39.66 2.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.574 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 2.5 mp -40.82 133.31 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 120' ' ' ILE . . . 75.36 95.22 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 7.5 tpp85 -54.59 124.89 17.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.133 . . . . 0.0 110.263 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -44.99 -60.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -149.85 173.46 13.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.55 -59.57 1.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.022 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 148.4 97.16 0.18 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.489 1.118 . . . . 0.0 111.045 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 163.8 34.63 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.444 1.76 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 38.0 t -176.38 -55.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.036 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.46 141.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.05 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.99 115.21 18.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 110.028 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.5 t -168.9 152.97 5.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.586 1.179 . . . . 0.0 110.027 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.73 82.1 1.59 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.1 p -125.93 131.53 52.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 0.761 . . . . 0.0 110.04 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.2 p -80.91 98.06 7.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.031 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.85 158.73 9.83 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.443 1.089 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 175.97 10.54 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.433 1.754 . . . . 0.0 110.964 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.6 t -128.34 111.6 24.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -41.32 -41.17 1.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.495 ' O ' HG13 ' A' ' 38' ' ' VAL . 7.8 t -148.94 111.46 4.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 108.302 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.7 m -96.76 134.03 40.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 109.999 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.5 t -91.74 122.46 43.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.717 HG21 ' CD2' ' A' ' 49' ' ' LEU . 2.0 mm -104.68 99.58 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -110.75 99.59 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.95 HG12 HD12 ' A' ' 43' ' ' LEU . 10.7 m -79.72 61.23 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 173.44 176.27 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 109.306 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -113.72 -34.49 5.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -49.36 -48.34 46.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.39 55.16 3.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.388 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.511 ' O ' ' CG ' ' A' ' 25' ' ' GLU . 3.3 tttt -88.57 -69.14 0.72 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -47.84 -43.84 28.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.641 ' HE2' HG23 ' A' ' 67' ' ' ILE . 36.5 t80 -58.87 -65.79 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.142 . . . . 0.0 111.029 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.96 -40.69 44.69 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.56 1.162 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 4.2 mm-40 -54.5 -27.77 40.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 0.0 110.265 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 29' ' ' ARG . 6.1 t -77.05 -65.06 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.996 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.734 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -49.18 -29.22 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.575 ' O ' HG11 ' A' ' 38' ' ' VAL . . . -77.6 -27.81 58.46 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -91.74 -27.81 17.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 0.737 . . . . 0.0 110.283 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.8 mmtt -59.6 -36.72 76.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.963 ' HB ' HG21 ' A' ' 38' ' ' VAL . 74.2 t -72.09 -28.59 30.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -72.23 -32.12 66.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -59.95 -19.78 53.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.7 OUTLIER -89.12 -11.2 44.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.46 21.66 23.85 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.545 1.153 . . . . 0.0 111.025 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.418 ' CE ' HG22 ' A' ' 101' ' ' VAL . 91.5 mtp -105.1 136.05 45.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 0.762 . . . . 0.0 111.044 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.2 t -66.51 123.01 18.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.963 HG21 ' HB ' ' A' ' 31' ' ' VAL . 97.4 t -132.66 148.86 31.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -135.91 168.32 19.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.283 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.504 HD21 ' HG2' ' A' ' 25' ' ' GLU . 0.3 OUTLIER -121.42 123.93 43.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.7 mt -111.97 114.09 46.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.426 ' CE2' HD23 ' A' ' 40' ' ' LEU . 37.5 m-85 -99.43 125.99 45.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 111.052 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.95 HD12 HG12 ' A' ' 16' ' ' VAL . 1.5 mt -120.11 73.79 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.251 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 31.3 m-20 -74.66 -59.21 2.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.733 HG22 ' O ' ' A' ' 45' ' ' THR . 2.1 m -148.37 52.3 1.01 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 110.366 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -106.94 -83.75 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.328 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.74 HG11 ' HG3' ' A' ' 51' ' ' GLN . 0.6 OUTLIER -133.22 -143.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.249 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.0 m -108.21 -177.66 3.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.965 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.717 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.5 OUTLIER -70.01 -59.3 2.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 95.4 p -43.09 -45.31 5.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 109.955 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.74 ' HG3' HG11 ' A' ' 47' ' ' VAL . 0.6 OUTLIER -47.44 -36.29 9.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.286 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.752 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -78.68 -40.89 32.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.2 mt -60.92 -32.19 71.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -69.36 -30.57 68.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 110.325 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -83.36 -24.63 31.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.77 HG11 ' HB2' ' A' ' 64' ' ' ALA . 69.5 t -65.93 -51.08 65.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.83 -61.4 2.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.006 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.414 ' HG2' ' N ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER -54.99 -36.53 65.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.414 ' N ' ' HG2' ' A' ' 58' ' ' ARG . . . -66.88 -29.65 74.97 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.63 -29.03 6.23 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.752 ' CB ' HG13 ' A' ' 56' ' ' VAL . 0.9 OUTLIER -39.03 115.27 0.92 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.482 0.754 . . . . 0.0 110.004 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.421 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.4 Cg_endo -74.93 -40.92 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.524 1.802 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.522 ' CD1' HG12 ' A' ' 81' ' ' ILE . 11.4 m-30 -116.65 153.43 32.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.77 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -142.91 123.35 13.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 15.5 mt -94.82 132.94 37.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.436 ' O ' ' CB ' ' A' ' 77' ' ' CYS . 0.8 OUTLIER -101.38 132.66 46.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.734 HD11 HG11 ' A' ' 27' ' ' VAL . 4.4 mm -126.32 154.82 36.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.602 HG22 ' CD2' ' A' ' 71' ' ' HIS . 3.7 t -175.13 162.86 3.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.397 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.1 -64.77 0.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 73' ' ' ILE . 1.1 tp60 -51.09 -58.57 5.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.602 ' CD2' HG22 ' A' ' 68' ' ' THR . 11.8 m-70 -42.65 -31.1 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.649 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -71.37 -46.32 60.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 70' ' ' GLN . 14.7 mt -63.06 -40.18 88.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -89.08 -4.86 58.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.599 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 71' ' ' HIS . 5.8 mtp180 49.87 29.86 3.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.401 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 1.1 p -122.55 143.3 49.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.04 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.479 ' HB3' HD13 ' A' ' 67' ' ' ILE . 1.8 p -124.62 174.2 8.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.128 . . . . 0.0 108.294 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.819 HG23 ' O ' ' A' ' 89' ' ' HIS . 40.1 m -112.45 112.66 24.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.421 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 92.0 t -90.37 114.08 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.359 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -112.65 126.69 55.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.522 HG12 ' CD1' ' A' ' 63' ' ' PHE . 22.3 mt -88.54 145.77 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 62' ' ' PRO . 7.0 mmt -112.78 -27.88 7.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.591 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -94.97 151.72 18.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.982 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 52.61 -159.56 3.14 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.2 m -45.76 119.23 4.59 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 0.0 110.396 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 105.18 2.03 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.499 1.789 . . . . 0.0 110.998 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -110.77 120.34 42.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -97.33 104.32 16.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.568 1.168 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.819 ' O ' HG23 ' A' ' 78' ' ' THR . 84.9 m-70 -90.98 111.14 22.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.628 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -99.02 131.17 45.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 110.256 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 54.48 100.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.412 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 14.7 mmm -138.43 137.35 20.29 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 92' ' ' MET . 18.3 Cg_endo -74.96 139.53 24.51 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.543 1.812 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.545 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 0.0 OUTLIER -38.32 -68.71 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.266 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 98' ' ' MET . . . -38.39 -68.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.401 ' O ' HG12 ' A' ' 99' ' ' VAL . 68.4 t0 -47.39 -41.69 20.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 94' ' ' GLN . . . -60.56 -35.46 76.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 95' ' ' ALA . 31.6 mmt -73.72 -31.79 63.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.501 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.4 OUTLIER -79.79 -40.19 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.99 -32.76 74.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.7 OUTLIER -83.48 -48.12 17.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.475 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -61.07 -32.21 71.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.501 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 7.3 mmm-85 -75.54 -69.09 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 110.249 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -44.89 -49.83 10.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.44 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 17.4 t80 -43.36 -55.63 3.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -44.4 -55.66 4.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.35 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.407 ' HA ' ' ND2' ' A' ' 110' ' ' ASN . 0.0 OUTLIER -64.16 -54.1 39.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.415 ' CZ ' ' HG3' ' A' ' 62' ' ' PRO . 8.8 t80 -40.47 -49.93 2.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.105 . . . . 0.0 110.995 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 112' ' ' CYS . 3.2 mtmt -58.54 -50.37 74.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.407 ' ND2' ' HA ' ' A' ' 107' ' ' ARG . 23.3 m-20 -47.67 -30.51 3.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -93.73 -25.66 17.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' CYS . . . . . 0.414 ' N ' ' O ' ' A' ' 109' ' ' LYS . 23.7 t -72.56 -67.86 0.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 108.267 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -43.61 -60.74 1.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 63.19 129.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -46.52 -50.49 17.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 117' ' ' ARG . 26.5 mt-10 -149.99 105.65 3.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.123 . . . . 0.0 110.322 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -36.39 139.72 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 110.322 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -45.79 159.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.287 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -104.7 36.99 2.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.487 ' HA ' HD13 ' A' ' 120' ' ' ILE . 7.2 mm -40.09 124.24 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -118.75 72.85 0.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 109.273 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -171.92 103.66 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.296 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.402 ' O ' ' HB2' ' A' ' 124' ' ' ALA . 37.1 tt0 -127.43 161.7 28.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.402 ' HB2' ' O ' ' A' ' 123' ' ' GLN . . . -179.3 68.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -99.96 122.61 43.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 179.34 155.57 15.33 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.11 . . . . 0.0 111.044 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 156.71 42.88 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.5 1.789 . . . . 0.0 110.961 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.54 -55.41 4.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.988 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 35.8 p -77.79 142.15 38.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.963 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.6 t . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -44.11 -44.96 7.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.152 . . . . 0.0 109.363 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.704 ' O ' HG13 ' A' ' 38' ' ' VAL . 49.7 t -146.37 101.64 3.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 108.301 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.81 137.84 31.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.178 . . . . 0.0 110.022 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 73.3 t -97.65 126.67 50.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.702 HG21 ' CD2' ' A' ' 49' ' ' LEU . 3.9 mm -103.29 116.69 47.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -132.07 99.91 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.515 HG12 HD12 ' A' ' 43' ' ' LEU . 13.3 m -69.96 -43.85 79.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.355 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.518 ' O ' HG22 ' A' ' 15' ' ' VAL . 0.6 OUTLIER -76.86 169.46 18.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -104.07 -45.17 4.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.12 -39.09 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.7 p -85.35 49.25 1.72 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.439 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -86.83 -40.66 14.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -81.17 -54.44 5.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.517 ' CE2' ' HA ' ' A' ' 72' ' ' GLN . 2.3 t80 -48.95 -42.58 37.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.597 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -74.54 -33.27 62.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -14.4 17.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.32 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 29' ' ' ARG . 8.9 t -91.37 -67.28 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.96 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.725 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -39.38 -34.19 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.698 ' HA2' HG11 ' A' ' 38' ' ' VAL . . . -72.52 -48.83 21.73 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.551 1.157 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.3 ptt180 -67.01 -29.79 69.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 0.742 . . . . 0.0 110.34 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -58.88 -43.85 91.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.344 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.964 ' HB ' HG21 ' A' ' 38' ' ' VAL . 99.5 t -68.51 -25.54 31.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -75.08 -32.3 61.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -61.59 -18.1 57.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.499 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.8 OUTLIER -89.98 -12.5 38.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.35 26.47 10.06 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.607 ' HE1' HG22 ' A' ' 101' ' ' VAL . 74.6 mtp -112.05 133.46 54.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 0.726 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 49.2 t -65.76 126.44 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.964 HG21 ' HB ' ' A' ' 31' ' ' VAL . 84.2 t -134.85 148.5 29.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -137.1 168.34 19.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.03 126.29 51.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.45 ' O ' HG13 ' A' ' 15' ' ' VAL . 21.2 mt -109.89 112.07 38.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -99.47 124.19 44.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.515 HD12 HG12 ' A' ' 16' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.8 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.702 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.8 OUTLIER -62.09 -58.84 6.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 53' ' ' LEU . 0.7 OUTLIER -42.19 -55.05 3.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.996 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -41.66 -36.97 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.334 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.705 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -80.79 -41.18 23.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 50' ' ' SER . 80.0 mt -59.09 -38.22 78.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -64.43 -40.03 94.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 0.0 110.257 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.466 ' HA ' ' CD ' ' A' ' 58' ' ' ARG . 14.7 t0 -76.3 -25.48 54.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.728 HG11 ' HB2' ' A' ' 64' ' ' ALA . 19.0 t -62.45 -53.39 47.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.087 . . . . 0.0 109.245 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.48 -61.94 1.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.003 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.466 ' CD ' ' HA ' ' A' ' 55' ' ' ASP . 0.2 OUTLIER -49.94 -34.09 19.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.318 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -71.28 -30.29 67.36 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 120.9 -27.89 6.32 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.637 ' HB3' HG13 ' A' ' 56' ' ' VAL . 0.5 OUTLIER -41.33 108.99 0.61 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 110.02 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.1 Cg_endo -75.03 -37.04 2.19 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.478 1.778 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.567 ' CD1' HG12 ' A' ' 81' ' ' ILE . 10.7 m-30 -116.58 135.93 53.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.728 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -129.09 123.47 32.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.432 HG23 ' HB2' ' A' ' 77' ' ' CYS . 11.1 mt -95.1 137.86 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.638 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 0.5 OUTLIER -104.81 130.15 56.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.725 HD11 HG11 ' A' ' 27' ' ' VAL . 3.8 mm -127.01 151.31 33.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.583 1.177 . . . . 0.0 109.289 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 69' ' ' GLN . 1.6 t -175.83 161.63 2.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 110.39 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.43 ' O ' ' CB ' ' A' ' 72' ' ' GLN . 1.4 mt-30 -38.51 -65.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.523 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.3 mt-30 -47.68 -60.8 2.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 110.339 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.638 ' CE1' ' CG1' ' A' ' 66' ' ' VAL . 18.7 m170 -43.06 -31.72 0.58 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.613 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.517 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 3.0 tt0 -63.63 -48.77 75.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.523 HD12 ' HA ' ' A' ' 70' ' ' GLN . 5.9 mt -60.68 -66.38 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.25 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -57.85 -22.52 48.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.634 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 71' ' ' HIS . 2.8 mtp180 63.39 42.26 6.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.553 ' O ' ' CD2' ' A' ' 71' ' ' HIS . 17.2 p -137.56 143.42 41.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.959 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.432 ' HB2' HG23 ' A' ' 65' ' ' ILE . 1.9 p -118.88 174.97 5.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.08 . . . . 0.0 108.328 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 89' ' ' HIS . 31.7 m -114.91 112.45 22.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.437 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 99.3 t -89.89 110.62 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -112.71 114.2 26.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.567 HG12 ' CD1' ' A' ' 63' ' ' PHE . 27.5 mt -75.72 149.65 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 62' ' ' PRO . 13.8 mmt -113.54 -21.16 10.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -106.73 151.89 24.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 111.02 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 67.0 -172.96 28.73 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.456 1.098 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.754 HG23 ' HD2' ' A' ' 86' ' ' PRO . 2.5 m -38.77 146.51 0.31 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.489 0.758 . . . . 0.0 110.366 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.754 ' HD2' HG23 ' A' ' 85' ' ' THR . 18.3 Cg_endo -75.05 92.6 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.486 1.782 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -108.17 114.74 28.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -112.01 105.25 13.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.584 ' CE1' ' CD1' ' A' ' 100' ' ' LEU . 59.5 m-70 -88.95 111.34 21.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.591 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.1 mtm105 -102.92 132.04 49.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.28 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 58.87 94.46 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.407 1.067 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.466 ' CE ' ' HB3' ' A' ' 96' ' ' ASP . 12.6 mmm -141.49 134.9 14.47 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 140.05 25.1 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.473 1.775 . . . . 0.0 111.027 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -38.16 -62.96 0.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -39.9 -55.06 2.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.466 ' HB3' ' CE ' ' A' ' 92' ' ' MET . 0.2 OUTLIER -57.78 -59.03 5.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 109.274 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -45.48 -46.23 13.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.256 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.437 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 34.9 mmt -59.2 -31.26 68.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 111.037 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 96' ' ' ASP . 0.4 OUTLIER -82.5 -44.16 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.421 1.075 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.584 ' CD1' ' CE1' ' A' ' 89' ' ' HIS . 0.0 OUTLIER -64.35 -27.83 69.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.607 HG22 ' HE1' ' A' ' 36' ' ' MET . 0.6 OUTLIER -87.71 -47.53 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.267 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.465 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -63.28 -33.08 74.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.438 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 6.8 mmm180 -75.16 -62.02 1.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -50.57 -55.95 13.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.446 ' HB2' ' HE1' ' A' ' 36' ' ' MET . 21.9 t80 -38.72 -56.57 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -43.75 -55.55 4.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.3 t . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.6 -45.94 27.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.509 ' O ' HG13 ' A' ' 38' ' ' VAL . 14.0 t -148.97 108.19 3.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 108.292 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.49 126.71 36.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.0 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 90.4 t -87.49 129.0 39.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.745 HG21 ' CD2' ' A' ' 49' ' ' LEU . 2.8 mm -106.18 107.62 23.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -120.42 104.26 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.975 HG12 HD12 ' A' ' 43' ' ' LEU . 35.6 m -80.68 -31.07 12.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -79.64 135.49 36.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -92.44 21.02 5.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.82 -35.82 5.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.339 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.453 HG21 ' O ' ' A' ' 68' ' ' THR . 2.3 p -83.66 51.59 2.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.432 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.518 ' HE3' ' CZ ' ' A' ' 42' ' ' PHE . 11.3 tttt -84.34 -47.36 10.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -70.47 -22.73 62.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -86.37 -60.81 1.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.97 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.807 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -50.68 -43.03 57.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.809 ' HG2' HD22 ' A' ' 40' ' ' LEU . 33.2 mt-10 -59.14 -15.8 16.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 29' ' ' ARG . 5.8 t -84.86 -69.58 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.013 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.663 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -40.33 -31.14 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.709 ' HA2' HG11 ' A' ' 38' ' ' VAL . . . -74.01 -47.98 17.25 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 26' ' ' SER . 0.7 OUTLIER -65.87 -26.75 67.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.6 0.824 . . . . 0.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.0 mmtt -64.77 -39.73 94.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.96 ' HB ' HG21 ' A' ' 38' ' ' VAL . 71.9 t -72.75 -28.81 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -72.5 -31.93 65.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -60.24 -18.13 46.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.7 OUTLIER -90.73 -11.54 39.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.79 23.8 14.77 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.529 1.143 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.501 ' HB2' HG12 ' A' ' 31' ' ' VAL . 93.8 mtp -106.96 134.5 50.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 0.784 . . . . 0.0 111.03 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 51.2 t -67.07 122.12 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.96 HG21 ' HB ' ' A' ' 31' ' ' VAL . 60.2 t -130.77 150.33 34.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -139.6 168.21 20.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.809 HD22 ' HG2' ' A' ' 25' ' ' GLU . 1.2 mp -119.99 128.32 53.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.6 mt -112.58 105.81 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.518 ' CZ ' ' HE3' ' A' ' 21' ' ' LYS . 46.4 m-85 -92.66 126.94 37.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.975 HD12 HG12 ' A' ' 16' ' ' VAL . 2.9 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.1 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.745 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.6 OUTLIER -56.49 -61.67 2.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.4 p -43.0 -50.87 5.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -42.83 -32.93 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.985 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -87.36 -42.17 13.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.441 ' HG ' HD22 ' A' ' 49' ' ' LEU . 48.3 mt -57.47 -32.73 67.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -66.5 -54.37 24.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 110.304 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.449 ' HA ' ' CD ' ' A' ' 58' ' ' ARG . 25.6 t0 -64.32 -27.16 68.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 109.286 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.985 HG23 ' O ' ' A' ' 52' ' ' ALA . 46.6 t -59.5 -65.24 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -61.6 2.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.072 . . . . 0.0 109.996 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.449 ' CD ' ' HA ' ' A' ' 55' ' ' ASP . 3.8 ptm180 -49.59 -36.59 24.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 55' ' ' ASP . . . -67.82 -24.85 74.28 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 115.48 -23.01 11.47 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.517 ' CB ' HG13 ' A' ' 56' ' ' VAL . 5.7 m -42.32 112.61 1.12 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.776 . . . . 0.0 110.036 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.422 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.3 Cg_endo -74.98 -44.21 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.48 1.779 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.562 ' CD1' HG12 ' A' ' 81' ' ' ILE . 10.7 m-30 -113.63 144.71 42.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.545 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -138.46 123.11 18.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.245 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.546 HG23 ' HB2' ' A' ' 77' ' ' CYS . 10.6 mt -94.91 141.15 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.43 ' CG1' ' HB ' ' A' ' 78' ' ' THR . 0.5 OUTLIER -104.41 126.95 59.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.807 HG21 ' HB2' ' A' ' 24' ' ' ALA . 6.3 mm -121.94 125.47 73.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.453 ' O ' HG21 ' A' ' 20' ' ' THR . 68.1 p -135.27 -161.13 1.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 110.434 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -79.23 -65.09 1.04 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.419 ' C ' ' N ' ' A' ' 72' ' ' GLN . 2.9 tp60 -53.03 -47.51 68.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.453 ' O ' ' N ' ' A' ' 75' ' ' ARG . 8.9 m170 -44.3 -26.87 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.59 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.419 ' N ' ' C ' ' A' ' 70' ' ' GLN . 2.0 tt0 -72.09 -54.62 9.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.0 mt -57.5 -38.34 62.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -85.13 -17.31 37.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.586 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 71' ' ' HIS . 3.7 mtp180 58.98 31.57 21.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.244 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.446 ' O ' ' CD2' ' A' ' 71' ' ' HIS . 1.1 p -123.21 147.14 47.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.952 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.546 ' HB2' HG23 ' A' ' 65' ' ' ILE . 1.4 p -122.9 175.51 6.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 108.292 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.475 HG23 ' O ' ' A' ' 89' ' ' HIS . 53.1 m -116.51 117.84 31.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.417 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.833 HG11 HD21 ' A' ' 100' ' ' LEU . 57.3 t -89.76 121.96 40.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -124.84 102.67 7.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.341 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.562 HG12 ' CD1' ' A' ' 63' ' ' PHE . 25.5 mt -72.41 146.55 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.422 ' N ' ' O ' ' A' ' 62' ' ' PRO . 9.3 mmt -110.03 -26.68 9.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.503 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -104.86 151.84 23.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.54 -156.66 51.19 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.689 HG23 ' HD2' ' A' ' 86' ' ' PRO . 1.4 m -62.15 144.52 94.39 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.767 . . . . 0.0 110.363 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.689 ' HD2' HG23 ' A' ' 85' ' ' THR . 18.3 Cg_endo -75.02 110.37 3.1 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 110.994 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -126.87 108.87 11.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.343 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -104.15 106.95 17.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.329 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.475 ' O ' HG23 ' A' ' 78' ' ' THR . 95.2 m-70 -97.06 110.04 22.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.608 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -91.72 132.96 36.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 110.349 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 54.88 92.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.404 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 17.0 mtp -125.96 136.61 28.71 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 92' ' ' MET . 18.3 Cg_endo -75.0 140.32 25.3 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.485 1.781 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -38.27 -67.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.267 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -38.67 -69.39 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.127 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 99' ' ' VAL . 0.7 OUTLIER -43.97 -56.38 3.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 109.327 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -47.79 -45.55 29.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 34.2 mmt -66.68 -24.98 66.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 111.042 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.459 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.4 OUTLIER -84.22 -47.25 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.833 HD21 HG11 ' A' ' 79' ' ' VAL . 0.1 OUTLIER -60.64 -29.76 69.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.488 ' O ' ' CB ' ' A' ' 105' ' ' TYR . 0.8 OUTLIER -84.85 -48.69 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.478 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -62.57 -26.69 68.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.459 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 3.1 mmm180 -82.58 -59.44 2.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -55.37 -52.6 62.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.357 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.488 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 18.0 t80 -41.34 -50.14 3.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -49.1 -57.92 5.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.336 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.256 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.423 HG12 ' C ' ' A' ' 11' ' ' CYS . 84.1 t . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.02 -41.77 1.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.612 ' SG ' HD12 ' A' ' 65' ' ' ILE . 19.7 t -147.84 106.64 3.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 108.324 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.67 129.37 38.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.987 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.461 ' CG1' HG13 ' A' ' 67' ' ' ILE . 43.0 t -87.39 132.83 31.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.804 HG21 ' CD2' ' A' ' 49' ' ' LEU . 2.8 mm -112.7 113.5 44.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.61 HG22 ' O ' ' A' ' 17' ' ' ASN . 0.4 OUTLIER -126.16 100.98 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.546 ' CG1' HD12 ' A' ' 43' ' ' LEU . 8.2 m -77.5 -15.72 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.61 ' O ' HG22 ' A' ' 15' ' ' VAL . 33.3 m120 -92.76 152.91 19.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -104.46 6.3 34.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.7 tm0? -97.39 -39.38 9.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.1 p -84.97 54.35 3.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 110.399 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.412 ' HE3' ' CZ ' ' A' ' 42' ' ' PHE . 7.1 tttt -81.8 -50.55 9.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -70.53 -45.03 66.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -56.98 -57.24 13.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.867 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -57.78 -36.32 71.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.836 ' CG ' HD22 ' A' ' 40' ' ' LEU . 2.3 mt-10 -66.08 -9.73 33.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.346 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 29' ' ' ARG . 5.2 t -90.94 -71.06 0.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.007 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.674 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -41.52 -30.11 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.622 ' CA ' HG11 ' A' ' 38' ' ' VAL . . . -74.5 -46.66 18.7 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 111.055 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 26' ' ' SER . 16.5 ptt180 -66.25 -36.94 84.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 0.776 . . . . 0.0 110.299 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.417 ' N ' ' CG ' ' A' ' 29' ' ' ARG . 11.6 mmtt -54.1 -34.81 61.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.88 ' HB ' HG21 ' A' ' 38' ' ' VAL . 91.8 t -75.02 -26.49 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -74.69 -31.52 61.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -61.13 -18.79 59.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.7 OUTLIER -88.98 -11.85 43.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.078 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.12 21.16 21.29 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.531 1.144 . . . . 0.0 110.952 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.543 ' O ' HG23 ' A' ' 38' ' ' VAL . 96.0 mtp -104.89 134.98 47.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.7 t -65.55 121.57 14.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.88 HG21 ' HB ' ' A' ' 31' ' ' VAL . 34.9 t -128.62 153.29 37.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -146.8 167.6 23.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.836 HD22 ' CG ' ' A' ' 25' ' ' GLU . 1.3 mp -119.47 128.46 54.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.7 mt -114.78 105.19 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.412 ' CZ ' ' HE3' ' A' ' 21' ' ' LYS . 50.7 m-85 -89.52 130.16 35.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.546 HD12 ' CG1' ' A' ' 16' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.804 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.8 OUTLIER -50.87 -59.83 3.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.98 -51.25 7.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.31 -34.18 1.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.295 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.562 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -85.48 -40.03 16.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.456 ' HG ' HD22 ' A' ' 49' ' ' LEU . 66.8 mt -58.85 -42.92 90.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -61.39 -28.63 69.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.457 ' HA ' ' CD ' ' A' ' 58' ' ' ARG . 10.6 t0 -83.58 -26.9 29.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.776 HG11 ' HB2' ' A' ' 64' ' ' ALA . 40.8 t -62.31 -44.06 98.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.32 -59.21 2.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.038 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.457 ' CD ' ' HA ' ' A' ' 55' ' ' ASP . 6.3 ptm180 -55.42 -33.86 63.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.264 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.412 ' N ' ' HG2' ' A' ' 58' ' ' ARG . . . -70.4 -32.12 68.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.545 1.153 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 123.68 -32.04 4.39 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.701 ' HB3' HG13 ' A' ' 56' ' ' VAL . 1.0 OUTLIER -39.15 115.9 0.99 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.458 0.74 . . . . 0.0 110.013 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.442 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.3 Cg_endo -74.99 -44.43 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.462 1.77 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.557 ' CE1' HG12 ' A' ' 81' ' ' ILE . 9.5 m-30 -113.08 153.1 28.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 111.027 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.776 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -143.23 126.57 16.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.612 HD12 ' SG ' ' A' ' 11' ' ' CYS . 4.7 mt -95.26 136.73 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.523 HG22 HD11 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -100.24 126.1 53.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.358 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.867 HG21 ' HB2' ' A' ' 24' ' ' ALA . 6.0 mm -122.74 121.96 64.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 69.2 p -129.99 -152.18 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.387 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -88.61 -64.18 1.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.271 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.699 ' HA ' HD12 ' A' ' 73' ' ' ILE . 5.4 mt-30 -54.21 -43.63 70.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.489 ' CD2' ' O ' ' A' ' 76' ' ' SER . 11.0 m170 -47.04 -26.52 1.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.647 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -74.86 -40.34 61.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.342 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.699 HD12 ' HA ' ' A' ' 70' ' ' GLN . 12.0 mt -66.53 -42.52 90.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -86.49 -14.91 41.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.571 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 71' ' ' HIS . 1.9 mtp180 58.6 36.63 25.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.357 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.489 ' O ' ' CD2' ' A' ' 71' ' ' HIS . 4.2 p -125.82 144.18 50.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.955 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.548 ' HB2' HG23 ' A' ' 65' ' ' ILE . 2.3 p -119.79 174.77 6.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 108.248 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.663 HG23 ' O ' ' A' ' 89' ' ' HIS . 25.2 m -116.23 116.53 27.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 110.42 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.574 HG11 HD21 ' A' ' 100' ' ' LEU . 59.0 t -90.04 118.26 34.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -118.32 109.98 16.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.557 HG12 ' CE1' ' A' ' 63' ' ' PHE . 29.4 mt -76.42 144.13 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 62' ' ' PRO . 3.6 mmt -111.48 -28.11 8.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.516 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -96.64 157.45 15.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.095 . . . . 0.0 110.976 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 59.05 -168.48 6.5 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.536 1.147 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.748 HG23 ' HD2' ' A' ' 86' ' ' PRO . 2.7 m -41.06 146.35 0.5 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.51 0.771 . . . . 0.0 110.438 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.748 ' HD2' HG23 ' A' ' 85' ' ' THR . 18.2 Cg_endo -75.0 91.61 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.507 1.793 . . . . 0.0 110.997 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -107.96 110.78 22.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -114.1 109.4 18.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.663 ' O ' HG23 ' A' ' 78' ' ' THR . 37.8 m-70 -91.65 132.61 36.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.592 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.4 mtm-85 -116.18 124.99 51.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.9 t30 62.42 95.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.474 ' CE ' ' HB3' ' A' ' 96' ' ' ASP . 15.9 mmm -136.48 137.37 23.92 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 111.027 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 92' ' ' MET . 18.4 Cg_endo -74.97 142.46 27.99 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.496 1.787 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -37.9 -70.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 110.333 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -37.31 -59.91 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.474 ' HB3' ' CE ' ' A' ' 92' ' ' MET . 0.5 OUTLIER -49.3 -58.64 4.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -48.51 -46.1 38.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.427 ' HE1' ' HA ' ' A' ' 94' ' ' GLN . 0.0 OUTLIER -60.91 -26.52 67.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -86.83 -45.37 16.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.574 HD21 HG11 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -63.47 -27.68 69.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.502 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.7 OUTLIER -85.33 -49.44 15.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.502 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -62.96 -34.72 78.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 -70.91 -67.27 0.52 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.12 . . . . 0.0 110.347 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -45.16 -54.08 7.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -43.37 -57.71 2.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -41.34 -58.83 1.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 110.332 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.483 HG12 ' O ' ' A' ' 11' ' ' CYS . 58.8 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.09 -47.69 11.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.483 ' O ' HG12 ' A' ' 9' ' ' VAL . 4.1 t -137.45 129.14 28.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 108.299 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.4 m -112.56 121.47 44.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.973 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.9 t -86.9 119.56 34.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.771 HG21 HD23 ' A' ' 49' ' ' LEU . 1.4 mm -103.48 105.25 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -112.57 97.21 5.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.775 HG12 HD12 ' A' ' 43' ' ' LEU . 10.7 m -76.74 68.86 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.345 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 167.55 169.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -116.53 24.22 11.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.14 -53.3 2.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 p -77.98 57.76 1.82 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 0.0 110.344 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.555 ' HE3' ' CZ ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -83.74 -55.29 4.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -61.67 -50.68 71.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.494 ' CE1' HG23 ' A' ' 67' ' ' ILE . 22.9 t80 -55.8 -59.83 4.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 111.013 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.424 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -53.09 -41.09 64.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.123 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.86 ' HG2' HD22 ' A' ' 40' ' ' LEU . 5.8 mt-10 -63.24 -11.77 23.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 29' ' ' ARG . 4.4 t -88.14 -70.61 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.552 HG11 HG21 ' A' ' 65' ' ' ILE . 0.3 OUTLIER -40.79 -31.69 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.775 ' HA2' HG11 ' A' ' 38' ' ' VAL . . . -73.91 -47.64 18.85 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.434 1.084 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 26' ' ' SER . 16.8 ptt85 -66.3 -26.18 67.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.771 . . . . 0.0 110.272 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -65.91 -41.84 90.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.855 ' HB ' HG21 ' A' ' 38' ' ' VAL . 95.4 t -68.81 -25.85 31.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.412 ' HG2' HG23 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -74.56 -32.48 62.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.346 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -62.69 -16.21 56.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 31' ' ' VAL . 1.0 OUTLIER -91.35 -11.52 37.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.91 29.78 8.37 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.114 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.548 ' O ' HG23 ' A' ' 38' ' ' VAL . 93.2 mtp -115.75 134.98 54.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 26.1 t -65.56 121.58 14.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.855 HG21 ' HB ' ' A' ' 31' ' ' VAL . 31.1 t -128.23 149.01 32.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -140.2 168.01 20.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.86 HD22 ' HG2' ' A' ' 25' ' ' GLU . 0.9 OUTLIER -121.94 128.03 51.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.252 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.529 ' CG2' HD21 ' A' ' 43' ' ' LEU . 23.7 mt -115.32 110.06 30.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.555 ' CZ ' ' HE3' ' A' ' 21' ' ' LYS . 55.6 m-85 -94.79 117.77 30.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.775 HD12 HG12 ' A' ' 16' ' ' VAL . 6.8 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.1 t . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.771 HD23 HG21 ' A' ' 14' ' ' ILE . 0.6 OUTLIER -50.46 -61.45 2.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.336 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.7 p -41.27 -53.34 3.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 110.023 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -42.01 -36.55 1.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.278 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.949 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -81.92 -42.21 19.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.454 ' HG ' HD22 ' A' ' 49' ' ' LEU . 56.6 mt -58.59 -38.95 79.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -62.82 -46.75 86.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.302 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -68.35 -29.25 67.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.949 HG23 ' O ' ' A' ' 52' ' ' ALA . 55.4 t -61.77 -54.42 34.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -62.98 1.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.017 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.76 -34.83 41.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -70.26 -31.41 68.89 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 122.25 -28.48 5.79 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.681 ' CB ' HG13 ' A' ' 56' ' ' VAL . 32.6 m -40.58 107.17 0.45 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.774 . . . . 0.0 110.012 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.412 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.3 Cg_endo -74.99 -35.33 3.2 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.469 1.773 . . . . 0.0 110.966 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.507 ' CE1' HG12 ' A' ' 81' ' ' ILE . 16.7 m-30 -114.36 145.35 41.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.95 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.61 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -141.96 124.03 15.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.552 HG21 HG11 ' A' ' 27' ' ' VAL . 10.0 mt -97.03 140.06 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.079 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.511 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 0.7 OUTLIER -105.19 137.56 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.24 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.494 HG23 ' CE1' ' A' ' 23' ' ' TYR . 4.0 mm -128.01 153.26 37.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.085 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.448 HG22 ' CG ' ' A' ' 71' ' ' HIS . 2.0 t -173.82 159.39 3.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 110.397 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -39.17 -65.43 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 73' ' ' ILE . 0.0 OUTLIER -49.96 -59.21 4.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.242 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.532 ' CD2' ' O ' ' A' ' 76' ' ' SER . 13.2 m170 -40.35 -33.26 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 109.577 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -66.42 -50.29 63.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 70' ' ' GLN . 14.0 mt -57.99 -60.17 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -67.44 -10.25 49.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.594 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.4 mpp_? 54.13 38.74 29.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 0.0 110.344 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.532 ' O ' ' CD2' ' A' ' 71' ' ' HIS . 0.9 OUTLIER -130.51 145.62 51.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.023 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.458 ' HB2' HG23 ' A' ' 65' ' ' ILE . 1.5 p -122.94 175.48 6.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 108.351 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.451 HG23 ' O ' ' A' ' 89' ' ' HIS . 15.9 m -115.56 115.56 26.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.417 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.475 HG11 HD21 ' A' ' 100' ' ' LEU . 58.4 t -90.44 128.19 42.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 -127.84 110.64 12.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.507 HG12 ' CE1' ' A' ' 63' ' ' PHE . 42.3 mt -78.13 144.27 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.412 ' N ' ' O ' ' A' ' 62' ' ' PRO . 11.1 mmt -106.75 -27.67 10.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.48 ' O ' ' CG2' ' A' ' 81' ' ' ILE . 0.3 OUTLIER -102.2 150.95 22.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 71.86 -171.4 47.87 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.462 1.101 . . . . 0.0 111.042 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.746 HG23 ' HD2' ' A' ' 86' ' ' PRO . 2.7 m -45.29 146.43 1.59 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.77 . . . . 0.0 110.404 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.746 ' HD2' HG23 ' A' ' 85' ' ' THR . 18.3 Cg_endo -74.97 100.1 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.52 1.8 . . . . 0.0 111.028 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -115.95 118.91 34.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -113.06 109.6 19.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.451 ' O ' HG23 ' A' ' 78' ' ' THR . 67.6 m-70 -91.93 117.66 30.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.569 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -107.3 126.7 52.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 47.8 t30 61.65 97.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 11.4 mmm -141.41 135.21 14.76 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 141.05 26.18 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.51 1.795 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -40.13 -66.94 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -37.61 -52.48 1.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 99' ' ' VAL . 0.3 OUTLIER -60.87 -56.76 17.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.286 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -47.24 -39.15 13.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.419 ' O ' HG12 ' A' ' 101' ' ' VAL . 31.1 mmt -66.98 -31.36 71.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 96' ' ' ASP . 0.4 OUTLIER -82.12 -40.82 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.475 HD21 HG11 ' A' ' 79' ' ' VAL . 0.1 OUTLIER -65.47 -29.38 70.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.486 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.6 OUTLIER -86.53 -49.04 15.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.486 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -60.51 -33.96 73.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 6.0 mmm180 -74.81 -68.48 0.54 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -44.63 -55.26 5.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.447 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 13.3 t80 -39.97 -56.87 1.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -43.84 -55.12 4.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.16 . . . . 0.0 110.328 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.3 t . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.419 ' HB2' ' N ' ' A' ' 37' ' ' VAL . 1.1 m-20 -96.94 -37.4 10.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.847 ' O ' HG13 ' A' ' 38' ' ' VAL . 0.7 OUTLIER -149.13 97.35 2.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 108.331 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.18 128.84 33.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.011 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.433 HG23 ' CG1' ' A' ' 38' ' ' VAL . 55.4 t -92.33 114.62 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.784 HG21 ' CD2' ' A' ' 49' ' ' LEU . 4.7 mm -89.96 110.15 21.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 41' ' ' ILE . 0.9 OUTLIER -123.52 103.79 13.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.543 HG12 ' CD1' ' A' ' 43' ' ' LEU . 6.1 m -79.8 -38.16 18.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -67.37 146.91 53.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.5 mmmt -101.25 5.24 42.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.24 -29.52 11.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 110.321 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.0 p -88.0 61.34 6.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.143 . . . . 0.0 110.372 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.575 ' HE3' ' CZ ' ' A' ' 42' ' ' PHE . 11.1 ttmt -86.54 -60.47 1.99 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -61.84 -53.56 54.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.56 ' CE2' ' HA ' ' A' ' 72' ' ' GLN . 2.9 t80 -47.35 -45.88 25.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 111.015 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.541 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -73.89 -38.34 64.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.28 -18.08 5.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 29' ' ' ARG . 5.8 t -87.71 -68.08 0.78 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 109.997 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.789 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -39.67 -33.0 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.798 ' HA2' HG11 ' A' ' 38' ' ' VAL . . . -74.17 -48.75 14.24 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 26' ' ' SER . 4.0 ptp180 -66.92 -27.66 67.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 0.791 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -63.01 -41.04 99.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.905 ' HB ' HG21 ' A' ' 38' ' ' VAL . 75.6 t -70.57 -25.6 27.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -75.07 -32.0 61.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.313 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -60.57 -19.1 56.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.7 OUTLIER -89.86 -11.33 42.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.96 29.2 8.73 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.521 ' O ' HG23 ' A' ' 38' ' ' VAL . 94.7 mtp -114.72 131.74 56.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 0.764 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.419 ' N ' ' HB2' ' A' ' 10' ' ' ASP . 40.2 t -65.52 122.66 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.905 HG21 ' HB ' ' A' ' 31' ' ' VAL . 39.9 t -127.69 146.92 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -133.85 168.33 18.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.17 123.43 40.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.431 ' O ' HG13 ' A' ' 15' ' ' VAL . 31.1 mt -107.99 104.74 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.575 ' CZ ' ' HE3' ' A' ' 21' ' ' LYS . 41.1 m-85 -90.62 114.37 26.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 110.978 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.543 ' CD1' HG12 ' A' ' 16' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.2 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.784 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.1 OUTLIER -56.37 -59.96 4.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 53' ' ' LEU . 81.7 p -47.08 -51.72 17.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.039 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -47.5 -34.23 7.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 110.277 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 1.011 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -76.54 -34.25 58.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 50' ' ' SER . 29.5 mt -64.53 -54.15 36.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.268 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -56.22 -25.84 48.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.438 ' HA ' ' CD ' ' A' ' 58' ' ' ARG . 7.0 t70 -86.43 -25.32 25.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 1.011 HG23 ' O ' ' A' ' 52' ' ' ALA . 54.9 t -66.04 -61.67 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.8 t -52.5 -61.42 2.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.013 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.438 ' CD ' ' HA ' ' A' ' 55' ' ' ASP . 3.3 ptm180 -49.5 -33.86 15.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.96 -32.27 83.67 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 61' ' ' SER . . . 130.69 -46.49 1.07 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 60' ' ' GLY . 0.2 OUTLIER -36.96 117.15 0.74 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.463 0.743 . . . . 0.0 110.001 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -38.22 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.47 1.774 . . . . 0.0 110.96 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.566 ' CD1' HG12 ' A' ' 81' ' ' ILE . 17.2 m-30 -113.24 149.57 33.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.716 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -145.42 131.14 18.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.45 HG23 ' HB2' ' A' ' 77' ' ' CYS . 4.9 mt -94.97 150.92 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.437 ' CG1' ' HB ' ' A' ' 78' ' ' THR . 0.5 OUTLIER -115.04 123.94 71.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.789 HD11 HG11 ' A' ' 27' ' ' VAL . 4.6 mm -125.09 122.74 63.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 64.2 p -130.77 -149.77 0.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.408 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.04 -63.13 1.34 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.892 ' HA ' HD12 ' A' ' 73' ' ' ILE . 10.8 mt-30 -51.84 -45.11 63.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 76' ' ' SER . 12.1 m170 -48.63 -31.06 6.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.582 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.56 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 6.8 tt0 -67.8 -35.24 78.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.892 HD12 ' HA ' ' A' ' 70' ' ' GLN . 10.7 mt -70.02 -65.28 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -65.16 -18.34 65.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.565 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 71' ' ' HIS . 0.8 OUTLIER 62.55 49.33 4.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 110.314 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.59 ' O ' ' CD2' ' A' ' 71' ' ' HIS . 1.4 m -137.17 147.86 46.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.046 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.45 ' HB2' HG23 ' A' ' 65' ' ' ILE . 2.1 p -121.31 175.51 6.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 108.285 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.725 HG23 ' O ' ' A' ' 89' ' ' HIS . 36.5 m -118.29 121.71 41.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.393 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.55 HG11 HD21 ' A' ' 100' ' ' LEU . 97.7 t -89.91 111.52 23.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -110.16 119.7 40.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.566 HG12 ' CD1' ' A' ' 63' ' ' PHE . 32.1 mt -89.12 144.57 8.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.158 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.4 mmt -111.02 -28.43 8.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.965 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.567 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -91.73 152.61 20.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 58.79 -168.84 5.9 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.735 HG23 ' HD2' ' A' ' 86' ' ' PRO . 2.4 m -38.5 146.58 0.3 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.539 0.787 . . . . 0.0 110.367 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.735 ' HD2' HG23 ' A' ' 85' ' ' THR . 18.4 Cg_endo -74.96 88.3 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.477 1.777 . . . . 0.0 111.021 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -107.89 116.52 32.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -125.91 98.81 5.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.725 ' O ' HG23 ' A' ' 78' ' ' THR . 39.4 m-70 -74.86 126.0 30.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.576 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.8 mtp85 -113.99 134.79 54.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 72.28 70.59 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.447 ' CE ' ' HB3' ' A' ' 96' ' ' ASP . 21.8 mmm -131.72 128.96 21.88 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 170.56 20.16 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.529 1.805 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -56.65 -66.15 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -37.79 -70.59 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.447 ' HB3' ' CE ' ' A' ' 92' ' ' MET . 0.2 OUTLIER -45.73 -57.92 3.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -45.21 -51.6 10.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.413 ' O ' HG12 ' A' ' 101' ' ' VAL . 27.5 mmt -57.72 -27.72 63.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 111.047 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.494 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.5 OUTLIER -84.21 -47.31 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.55 HD21 HG11 ' A' ' 79' ' ' VAL . 0.1 OUTLIER -61.58 -28.39 69.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.465 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.8 OUTLIER -85.49 -47.37 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.465 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -62.53 -41.44 98.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 0.2 OUTLIER -65.67 -71.24 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -40.68 -60.49 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.255 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -38.08 -60.68 0.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -40.71 -47.3 2.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.373 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 10' ' ' ASP . 40.4 t . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 9' ' ' VAL . 0.4 OUTLIER -39.79 -46.89 2.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.452 ' O ' HG13 ' A' ' 38' ' ' VAL . 12.3 t -148.74 114.88 5.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 108.268 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.67 132.0 43.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.966 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.452 ' CG1' HG13 ' A' ' 67' ' ' ILE . 93.9 t -90.58 120.86 40.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.597 HG21 ' CD2' ' A' ' 49' ' ' LEU . 2.1 mm -102.46 107.57 22.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -116.25 97.88 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.863 HG12 HD12 ' A' ' 43' ' ' LEU . 30.0 m -72.3 -45.2 61.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -56.01 159.97 3.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.351 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.411 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 0.3 OUTLIER -114.05 40.14 2.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.17 -46.07 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 p -70.27 59.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.403 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -86.66 -57.47 2.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.94 -55.7 26.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -49.63 -56.11 11.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.556 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -56.65 -42.09 78.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.89 ' CG ' HD22 ' A' ' 40' ' ' LEU . 1.5 mt-10 -62.57 -11.95 19.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 29' ' ' ARG . 4.8 t -86.89 -68.86 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.017 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.703 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -43.74 -31.28 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.71 ' HA2' HG11 ' A' ' 38' ' ' VAL . . . -73.28 -42.46 42.41 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 26' ' ' SER . 9.8 ptt180 -72.55 -24.45 61.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 0.73 . . . . 0.0 110.284 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -68.7 -40.6 79.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.972 ' HB ' HG21 ' A' ' 38' ' ' VAL . 63.9 t -65.82 -27.0 40.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.5 mtt-85 -74.52 -32.96 62.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 110.246 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -60.36 -17.93 46.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.592 1.182 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.7 OUTLIER -90.89 -11.01 40.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.15 29.6 8.87 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.468 ' HG2' ' CE1' ' A' ' 105' ' ' TYR . 93.8 mtp -115.4 133.65 55.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.77 . . . . 0.0 111.004 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.3 t -65.81 121.37 14.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.972 HG21 ' HB ' ' A' ' 31' ' ' VAL . 60.1 t -131.55 150.19 33.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -142.37 168.33 20.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.89 HD22 ' CG ' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -117.87 126.96 53.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.117 . . . . 0.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.1 mt -113.2 107.47 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.425 ' CZ ' HD23 ' A' ' 40' ' ' LEU . 49.2 m-85 -94.65 121.16 35.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.863 HD12 HG12 ' A' ' 16' ' ' VAL . 14.1 mt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 53.8 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.597 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.5 OUTLIER -69.97 -57.47 4.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.0 p -42.68 -43.4 3.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 110.007 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -48.42 -39.23 21.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.768 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -72.8 -41.94 64.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 94.4 mt -59.83 -39.8 86.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -61.09 -30.98 70.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.28 -29.04 24.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 52' ' ' ALA . 75.9 t -62.32 -39.37 83.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -59.92 2.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.017 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.403 ' CG ' ' N ' ' A' ' 59' ' ' GLY . 0.2 OUTLIER -56.75 -36.49 69.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.403 ' N ' ' CG ' ' A' ' 58' ' ' ARG . . . -64.92 -32.22 83.5 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 122.83 -31.51 4.74 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.734 ' CB ' HG13 ' A' ' 56' ' ' VAL . 1.0 OUTLIER -39.41 110.63 0.63 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.51 0.771 . . . . 0.0 109.965 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.417 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.2 Cg_endo -74.99 -37.37 2.06 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.554 1.818 . . . . 0.0 111.005 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.462 ' CD1' HG12 ' A' ' 81' ' ' ILE . 11.4 m-30 -114.28 151.17 33.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.733 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -144.65 119.28 9.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.411 HG21 HG11 ' A' ' 27' ' ' VAL . 9.3 mt -94.93 131.65 41.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.472 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 0.6 OUTLIER -99.17 135.24 35.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.703 HD11 HG11 ' A' ' 27' ' ' VAL . 3.7 mm -128.62 154.84 40.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 69' ' ' GLN . 1.6 t -174.92 159.56 2.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.378 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.426 ' O ' ' CB ' ' A' ' 72' ' ' GLN . 0.0 OUTLIER -38.99 -65.31 0.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.14 -57.46 5.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' A' ' 76' ' ' SER . 15.0 m170 -43.29 -29.62 0.43 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 109.602 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.426 ' CB ' ' O ' ' A' ' 69' ' ' GLN . 8.2 tt0 -66.36 -49.59 66.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.336 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 12.4 mt -60.35 -58.08 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -69.82 -9.83 56.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.622 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 71' ' ' HIS . 2.9 mtp180 50.47 41.37 25.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.581 ' O ' ' CD2' ' A' ' 71' ' ' HIS . 34.5 p -132.41 145.24 51.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.978 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.417 ' HB3' HD13 ' A' ' 67' ' ' ILE . 1.6 p -122.65 175.49 6.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 108.287 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 55.3 m -115.06 113.05 23.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.379 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.565 HG11 HD21 ' A' ' 100' ' ' LEU . 60.9 t -90.2 119.63 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -122.62 114.09 20.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.462 HG12 ' CD1' ' A' ' 63' ' ' PHE . 36.2 mt -78.46 148.81 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.417 ' N ' ' O ' ' A' ' 62' ' ' PRO . 7.5 mmt -114.39 -21.34 10.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -103.4 150.06 24.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.5 -161.39 50.86 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.463 1.102 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.749 HG23 ' HD2' ' A' ' 86' ' ' PRO . 2.5 m -51.02 146.58 10.38 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.518 0.775 . . . . 0.0 110.428 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.749 ' HD2' HG23 ' A' ' 85' ' ' THR . 18.2 Cg_endo -75.01 95.37 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.489 1.783 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -110.61 114.78 28.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.312 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -113.49 109.81 19.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.29 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -93.39 115.65 28.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.606 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 61.7 mtt180 -102.92 126.45 50.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 62.1 98.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.421 ' CE ' ' HB3' ' A' ' 96' ' ' ASP . 10.3 mmm -142.33 137.46 15.62 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 92' ' ' MET . 18.1 Cg_endo -75.03 138.38 22.88 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.452 1.764 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.443 ' CG ' HG23 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -37.92 -62.44 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -39.39 -60.58 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 99' ' ' VAL . 0.9 OUTLIER -52.87 -58.03 8.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -46.26 -48.86 17.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 34.9 mmt -57.87 -26.89 62.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' A' ' 96' ' ' ASP . 0.4 OUTLIER -86.89 -45.65 16.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.565 HD21 HG11 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -61.48 -27.74 68.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.502 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.7 OUTLIER -85.3 -49.48 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.502 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -62.32 -33.8 75.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.419 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 2.2 mmm180 -73.32 -66.58 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -46.67 -48.05 20.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.468 ' CE1' ' HG2' ' A' ' 36' ' ' MET . 34.5 t80 -50.09 -54.83 17.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -43.63 -52.61 6.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 87.1 t . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.64 -44.16 2.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.641 ' O ' HG13 ' A' ' 38' ' ' VAL . 4.9 t -149.21 103.38 3.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 108.313 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 m -89.49 136.17 33.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.996 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.432 HG21 ' CA ' ' A' ' 28' ' ' GLY . 94.9 t -94.45 121.14 44.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.704 HG21 ' CD2' ' A' ' 49' ' ' LEU . 3.7 mm -100.49 116.07 43.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -129.55 97.96 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.935 HG12 HD12 ' A' ' 43' ' ' LEU . 15.9 m -78.4 63.7 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.422 1.076 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.5 m120 168.62 178.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -114.72 -36.54 4.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -41.4 -44.96 2.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.473 HG21 ' O ' ' A' ' 68' ' ' THR . 1.5 p -93.94 60.1 2.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.376 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.11 -38.67 14.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -79.87 -57.82 3.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.58 ' CE2' ' HA ' ' A' ' 72' ' ' GLN . 2.2 t80 -44.85 -43.44 8.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.403 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -73.83 -34.96 64.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.77 -15.13 18.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 29' ' ' ARG . 5.7 t -89.54 -69.03 0.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.001 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.642 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -39.56 -32.25 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.254 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.575 ' HA2' HG11 ' A' ' 38' ' ' VAL . . . -76.95 -47.77 9.12 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 0.0 111.054 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 26' ' ' SER . 0.9 OUTLIER -67.86 -21.71 65.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 110.312 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -69.34 -36.66 77.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.349 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.959 ' HB ' HG21 ' A' ' 38' ' ' VAL . 75.8 t -74.54 -26.87 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.167 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.2 mtm180 -74.69 -31.98 62.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.155 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -61.45 -16.91 51.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.552 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.8 OUTLIER -91.68 -10.06 41.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.58 26.57 13.1 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.5 ' HB2' HG12 ' A' ' 31' ' ' VAL . 95.1 mtp -111.27 134.81 52.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.77 . . . . 0.0 110.981 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 49.0 t -65.71 127.01 26.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.959 HG21 ' HB ' ' A' ' 31' ' ' VAL . 96.7 t -136.44 150.35 27.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -140.18 167.94 20.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.72 124.32 48.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.4 mt -109.61 107.32 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.264 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -93.07 126.58 38.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.935 HD12 HG12 ' A' ' 16' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.704 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.7 OUTLIER -52.99 -59.08 4.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 53' ' ' LEU . 0.6 OUTLIER -44.61 -52.87 7.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.974 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -42.62 -33.91 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.582 1.176 . . . . 0.0 110.335 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.691 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -82.12 -42.08 19.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.457 ' HG ' HD22 ' A' ' 49' ' ' LEU . 62.7 mt -58.17 -52.88 63.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -48.96 -29.18 4.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -85.17 -35.27 21.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.093 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 52' ' ' ALA . 71.8 t -57.86 -47.0 87.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.06 -64.06 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.429 ' CG ' ' N ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -50.96 -38.07 48.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.274 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.429 ' N ' ' CG ' ' A' ' 58' ' ' ARG . . . -62.4 -31.66 80.23 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.461 1.101 . . . . 0.0 110.971 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.22 -23.17 9.97 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.682 ' CB ' HG13 ' A' ' 56' ' ' VAL . 0.4 OUTLIER -39.21 116.75 1.06 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.556 0.798 . . . . 0.0 110.01 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.4 Cg_endo -75.0 -46.52 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.419 1.747 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.416 ' N ' ' CD1' ' A' ' 63' ' ' PHE . 4.5 m-30 -116.25 150.44 37.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.607 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -141.86 128.22 19.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.108 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.524 HG23 ' HB2' ' A' ' 77' ' ' CYS . 21.0 mt -96.48 137.47 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.538 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 0.5 OUTLIER -102.8 129.0 55.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.642 HD11 HG11 ' A' ' 27' ' ' VAL . 4.1 mm -126.52 158.37 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.685 HG23 ' N ' ' A' ' 69' ' ' GLN . 9.7 t -172.88 -147.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 110.408 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.685 ' N ' HG23 ' A' ' 68' ' ' THR . 0.6 OUTLIER -86.39 -63.96 1.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.49 ' HA ' HD12 ' A' ' 73' ' ' ILE . 1.2 tp60 -51.66 -56.63 12.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.578 ' CD2' ' O ' ' A' ' 76' ' ' SER . 18.9 m170 -41.35 -32.79 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.585 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.58 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 10.2 tt0 -64.47 -50.79 66.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.49 HD12 ' HA ' ' A' ' 70' ' ' GLN . 6.8 mt -62.34 -63.91 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -58.38 -19.3 34.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.608 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 60.87 37.92 18.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.257 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.578 ' O ' ' CD2' ' A' ' 71' ' ' HIS . 1.3 p -131.48 143.76 50.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.524 ' HB2' HG23 ' A' ' 65' ' ' ILE . 1.9 p -122.82 172.17 8.65 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 108.295 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.782 HG23 ' O ' ' A' ' 89' ' ' HIS . 13.0 m -112.87 115.57 28.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 110.361 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 80.5 t -90.2 116.07 30.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -111.99 125.42 54.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.69 HG23 ' CD2' ' A' ' 83' ' ' PHE . 16.5 mt -89.38 146.3 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 62' ' ' PRO . 9.8 mmt -117.45 -30.82 5.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.69 ' CD2' HG23 ' A' ' 81' ' ' ILE . 4.9 p90 -67.07 -179.16 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.964 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.478 ' N ' ' CD1' ' A' ' 83' ' ' PHE . . . -38.53 159.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.135 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 34.0 m 57.59 112.45 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.773 . . . . 0.0 110.387 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 114.18 3.97 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.786 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.536 ' CB ' HD12 ' A' ' 81' ' ' ILE . 3.4 mm-40 -128.16 126.99 42.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -132.88 114.99 14.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 110.287 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.782 ' O ' HG23 ' A' ' 78' ' ' THR . 18.9 m-70 -106.16 125.59 51.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.574 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.1 mtp85 -108.69 124.67 50.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 26.4 t30 59.94 97.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.412 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 16.4 mmm -135.73 140.57 34.1 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 92' ' ' MET . 18.3 Cg_endo -74.99 136.36 20.31 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.525 1.803 . . . . 0.0 110.96 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.609 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 0.0 OUTLIER -38.25 -65.81 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 98' ' ' MET . . . -40.11 -71.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -46.16 -41.93 13.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.265 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 94' ' ' GLN . . . -56.86 -41.35 77.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 95' ' ' ALA . 32.0 mmt -65.43 -24.76 67.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 111.038 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.415 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.4 OUTLIER -86.52 -46.07 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.411 1.07 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.401 HD11 ' CD2' ' A' ' 89' ' ' HIS . 0.1 OUTLIER -61.69 -28.18 69.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.484 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.8 OUTLIER -85.24 -48.22 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.484 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -62.4 -30.81 71.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.415 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 6.5 mmm180 -76.3 -67.0 0.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.259 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -43.01 -59.1 2.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -40.13 -61.99 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -39.6 -55.33 1.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.241 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 10' ' ' ASP . 17.8 t . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -40.55 -51.81 2.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.287 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.608 ' O ' HG13 ' A' ' 38' ' ' VAL . 5.7 t -140.0 104.32 4.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 108.302 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.72 130.48 36.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.023 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.443 ' CG1' HG13 ' A' ' 67' ' ' ILE . 58.7 t -90.98 127.8 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.7 HG21 HD23 ' A' ' 49' ' ' LEU . 3.5 mm -106.99 114.76 46.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.526 HG22 ' O ' ' A' ' 17' ' ' ASN . 0.8 OUTLIER -125.71 101.31 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.611 HG12 HD12 ' A' ' 43' ' ' LEU . 26.8 m -75.55 -27.97 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.526 ' O ' HG22 ' A' ' 15' ' ' VAL . 0.4 OUTLIER -84.15 135.87 34.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -92.55 26.23 2.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.245 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -116.03 -39.67 3.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 110.329 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.7 p -83.25 57.39 3.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.433 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.469 ' HE3' ' CZ ' ' A' ' 42' ' ' PHE . 4.1 tttt -79.43 -56.24 4.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.38 -51.57 59.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.629 ' CE1' HG23 ' A' ' 67' ' ' ILE . 1.9 t80 -49.08 -44.13 41.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.564 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -75.05 -36.88 61.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.68 -16.17 9.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.597 1.186 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' ARG . 8.6 t -87.93 -68.43 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.016 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.829 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -39.55 -33.63 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.786 ' HA2' HG11 ' A' ' 38' ' ' VAL . . . -74.38 -48.53 13.94 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.488 1.117 . . . . 0.0 110.941 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 26' ' ' SER . 3.0 ptt180 -67.09 -28.97 68.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 0.768 . . . . 0.0 110.303 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -61.08 -39.61 90.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.854 ' HB ' HG21 ' A' ' 38' ' ' VAL . 74.6 t -72.26 -26.89 25.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -74.02 -32.21 63.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.296 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -60.25 -17.3 40.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 31' ' ' VAL . 1.1 mt -91.83 -10.92 38.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.37 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.74 25.76 12.83 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.126 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.537 ' O ' HG23 ' A' ' 38' ' ' VAL . 97.0 mtp -109.49 135.72 50.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 0.766 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.9 t -65.74 121.98 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.854 HG21 ' HB ' ' A' ' 31' ' ' VAL . 36.6 t -129.07 148.7 33.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.44 174.84 10.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.508 HD23 ' CZ ' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -129.64 121.57 27.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.287 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 34.9 mt -107.92 102.1 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.508 ' CZ ' HD23 ' A' ' 40' ' ' LEU . 45.8 m-85 -86.88 132.49 33.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.611 HD12 HG12 ' A' ' 16' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.7 HD23 HG21 ' A' ' 14' ' ' ILE . 0.5 OUTLIER -43.75 -64.33 0.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -41.73 -50.77 4.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.022 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -42.08 -35.66 0.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.816 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -83.22 -40.78 19.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.273 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.477 ' HG ' HD22 ' A' ' 49' ' ' LEU . 36.3 mt -59.46 -42.81 92.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -59.31 -33.5 71.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -81.89 -30.33 31.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.861 HG11 ' HB2' ' A' ' 64' ' ' ALA . 64.7 t -60.38 -42.64 91.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.78 -61.3 1.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.435 ' CG ' ' N ' ' A' ' 59' ' ' GLY . 5.9 ptt180 -54.28 -37.81 65.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.435 ' N ' ' CG ' ' A' ' 58' ' ' ARG . . . -62.02 -32.0 80.67 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 61' ' ' SER . . . 117.94 -25.67 8.29 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.523 ' CB ' HG13 ' A' ' 56' ' ' VAL . 0.4 OUTLIER -38.85 116.41 0.97 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.462 0.742 . . . . 0.0 109.973 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.3 Cg_endo -75.04 -42.68 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.494 1.786 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.6 m-30 -117.04 146.98 42.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.861 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -141.58 122.87 14.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 19.8 mt -95.2 139.36 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.341 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.532 HG22 HD11 ' A' ' 49' ' ' LEU . 1.0 OUTLIER -103.99 127.55 58.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.829 HD11 HG11 ' A' ' 27' ' ' VAL . 5.0 mm -124.06 150.9 28.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.481 HG22 ' ND1' ' A' ' 71' ' ' HIS . 2.0 t -175.46 163.09 2.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.366 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.16 -54.83 18.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.577 ' HA ' HD12 ' A' ' 73' ' ' ILE . 20.1 tt0 -55.9 -30.13 61.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.342 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.514 ' CE1' ' CG1' ' A' ' 66' ' ' VAL . 9.6 m170 -77.73 -17.9 57.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.62 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.544 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 8.5 tt0 -78.73 -30.98 46.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.323 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.577 HD12 ' HA ' ' A' ' 70' ' ' GLN . 18.9 mt -69.79 -50.85 45.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -79.12 -15.36 58.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.135 . . . . 0.0 109.601 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 61.88 32.01 18.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 82.5 p -129.26 149.96 50.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 110.012 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.514 ' HB3' HD13 ' A' ' 67' ' ' ILE . 1.8 p -123.57 173.79 7.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 108.3 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.635 HG23 ' O ' ' A' ' 89' ' ' HIS . 8.8 m -111.02 120.73 43.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.094 . . . . 0.0 110.427 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.903 HG11 HD21 ' A' ' 100' ' ' LEU . 59.2 t -90.43 129.66 40.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -131.58 124.32 29.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.644 HD12 ' CB ' ' A' ' 87' ' ' GLN . 14.8 mt -91.44 148.24 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 62' ' ' PRO . 5.8 mmt -116.8 -29.24 6.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 111.051 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.642 ' CD2' HG23 ' A' ' 81' ' ' ILE . 2.5 p90 -70.85 178.44 3.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.48 ' N ' ' CD1' ' A' ' 83' ' ' PHE . . . -38.99 159.47 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.5 m 59.72 114.0 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.477 0.751 . . . . 0.0 110.377 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 129.43 12.33 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.487 1.782 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.644 ' CB ' HD12 ' A' ' 81' ' ' ILE . 3.6 mm100 -145.85 120.37 9.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -133.23 121.95 23.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.321 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.635 ' O ' HG23 ' A' ' 78' ' ' THR . 74.8 m-70 -118.22 122.5 43.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.612 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.7 mtm180 -94.02 137.99 32.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 41.36 85.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.487 ' SD ' ' CB ' ' A' ' 89' ' ' HIS . 5.7 mtp -112.86 142.91 28.06 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.416 ' HG2' ' CB ' ' A' ' 96' ' ' ASP . 18.4 Cg_endo -75.06 131.37 14.15 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.496 1.787 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.515 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 0.0 OUTLIER -37.71 -63.77 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -41.34 -70.07 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.416 ' CB ' ' HG2' ' A' ' 93' ' ' PRO . 49.7 t0 -47.38 -44.21 24.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 94' ' ' GLN . . . -55.88 -43.25 77.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.406 ' O ' HG12 ' A' ' 101' ' ' VAL . 32.6 mmt -64.7 -24.56 67.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.489 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.4 OUTLIER -86.47 -45.34 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.903 HD21 HG11 ' A' ' 79' ' ' VAL . 0.1 OUTLIER -60.76 -29.61 69.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.494 HG22 ' HE1' ' A' ' 36' ' ' MET . 0.8 OUTLIER -83.73 -47.38 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.468 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -64.09 -17.02 63.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.489 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 8.6 mmm180 -92.99 -63.14 1.25 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -49.62 -54.99 15.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -39.2 -52.94 1.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.956 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -48.82 -54.42 15.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.342 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.349 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 62.4 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -42.98 -45.97 5.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.65 ' O ' HG13 ' A' ' 38' ' ' VAL . 14.1 t -149.03 108.64 4.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 108.331 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.0 135.22 36.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.037 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.435 ' CG1' HG13 ' A' ' 67' ' ' ILE . 75.8 t -92.91 125.67 45.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.662 HG21 ' CD2' ' A' ' 49' ' ' LEU . 1.8 mm -105.57 109.23 27.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.1 p -117.84 101.84 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.667 HG12 HD12 ' A' ' 43' ' ' LEU . 30.4 m -75.51 -37.33 37.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.55 126.12 29.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tptp -85.68 49.46 1.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -142.12 -49.66 0.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.478 HG21 ' HB2' ' A' ' 72' ' ' GLN . 1.2 p -69.72 60.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.433 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -81.96 -68.38 0.7 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -47.83 -55.62 9.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.562 ' HE1' HG23 ' A' ' 67' ' ' ILE . 29.3 t80 -51.59 -62.04 1.87 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.576 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -52.18 -41.62 62.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.875 ' CG ' HD22 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -63.02 -11.64 20.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.353 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 29' ' ' ARG . 2.8 t -87.3 -68.47 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.004 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.622 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -47.93 -28.91 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.544 ' O ' HG11 ' A' ' 38' ' ' VAL . . . -75.22 -33.9 52.8 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.461 1.101 . . . . 0.0 111.03 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 26' ' ' SER . 12.3 ptt180 -81.87 -31.01 31.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 110.318 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -59.57 -31.54 69.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.968 ' HB ' HG21 ' A' ' 38' ' ' VAL . 94.3 t -76.04 -27.42 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -74.04 -31.99 63.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.267 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -60.56 -19.28 56.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.545 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.6 OUTLIER -89.1 -11.01 45.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.72 23.69 17.7 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.454 1.096 . . . . 0.0 111.001 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.479 ' HB2' HG12 ' A' ' 31' ' ' VAL . 96.3 mtp -107.33 133.3 52.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.757 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 19.7 t -65.68 117.47 6.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.968 HG21 ' HB ' ' A' ' 31' ' ' VAL . 61.3 t -129.72 148.14 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -140.4 167.91 21.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.875 HD22 ' CG ' ' A' ' 25' ' ' GLU . 0.8 OUTLIER -115.38 127.94 55.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.1 mt -113.84 108.81 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -93.32 132.7 37.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.667 HD12 HG12 ' A' ' 16' ' ' VAL . 11.9 mt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 63.0 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.662 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.9 OUTLIER -63.91 -58.93 5.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.274 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 53' ' ' LEU . 94.0 p -38.44 -54.2 1.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.997 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -39.77 -42.78 1.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.288 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.91 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -77.35 -42.63 35.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.488 ' HG ' HD22 ' A' ' 49' ' ' LEU . 45.3 mt -57.95 -32.58 67.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -66.01 -47.38 74.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.443 ' OD1' ' NH1' ' A' ' 58' ' ' ARG . 5.7 t70 -70.36 -20.07 63.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.91 HG23 ' O ' ' A' ' 52' ' ' ALA . 70.0 t -71.14 -40.67 75.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -50.67 8.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.994 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.443 ' NH1' ' OD1' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -64.23 -36.54 84.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.416 ' N ' ' HG2' ' A' ' 58' ' ' ARG . . . -66.66 -29.53 74.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.562 1.164 . . . . 0.0 111.031 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.35 -19.95 11.45 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.754 ' HB3' HG13 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -43.72 111.03 1.04 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.53 0.782 . . . . 0.0 109.978 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.427 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.3 Cg_endo -74.99 -37.5 2.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.536 1.808 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.456 ' CD1' HG12 ' A' ' 81' ' ' ILE . 9.9 m-30 -115.61 146.32 41.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.798 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -137.9 124.42 20.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.6 mt -101.52 133.89 43.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.699 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 0.8 OUTLIER -101.26 134.32 41.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.622 HD11 HG11 ' A' ' 27' ' ' VAL . 4.1 mm -127.82 153.82 37.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.524 HG23 ' N ' ' A' ' 69' ' ' GLN . 0.5 OUTLIER 178.42 175.04 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.389 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.524 ' N ' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -45.08 -64.56 0.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -50.85 -65.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.316 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.699 ' CE1' ' CG1' ' A' ' 66' ' ' VAL . 38.4 m80 -39.2 -39.8 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.606 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.506 ' HA ' ' CZ ' ' A' ' 23' ' ' TYR . 4.1 tt0 -65.48 -51.83 57.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.339 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.4 mt -59.53 -52.95 54.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -73.05 -5.24 37.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.644 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.0 mmt-85 52.88 23.44 2.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 71' ' ' HIS . 54.1 p -122.82 139.45 54.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 110.044 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 2.7 p -116.18 172.12 7.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 108.27 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 29.4 m -108.13 114.71 28.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 110.411 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.555 HG11 HD21 ' A' ' 100' ' ' LEU . 59.2 t -89.9 129.18 41.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 61.1 m-20 -133.7 113.39 12.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.456 HG12 ' CD1' ' A' ' 63' ' ' PHE . 19.6 mt -79.13 149.96 5.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.427 ' N ' ' O ' ' A' ' 62' ' ' PRO . 10.3 mmt -114.46 -24.14 8.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -101.5 153.72 19.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 110.999 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 50.72 -166.86 0.52 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 84' ' ' GLY . 40.3 m -38.27 118.42 0.99 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 110.403 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 102.86 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.481 1.78 . . . . 0.0 110.972 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.587 ' OE1' ' CE1' ' A' ' 89' ' ' HIS . 2.6 mm-40 -109.91 110.73 21.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.352 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -97.5 100.69 12.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.587 ' CE1' ' OE1' ' A' ' 87' ' ' GLN . 96.3 m-70 -91.83 114.72 27.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.582 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 29.8 mtt85 -93.79 138.39 32.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.331 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 48.39 88.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.422 ' CE ' ' OD1' ' A' ' 96' ' ' ASP . 10.1 mtp -121.97 138.3 28.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 92' ' ' MET . 18.3 Cg_endo -74.98 134.4 17.8 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.496 1.787 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.489 ' CG ' HG23 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -38.37 -63.04 0.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -38.4 -72.86 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.422 ' OD1' ' CE ' ' A' ' 92' ' ' MET . 8.5 t70 -44.77 -53.66 7.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.353 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 94' ' ' GLN . . . -47.58 -49.58 26.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 35.6 mmt -60.3 -24.84 65.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.963 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.424 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.5 OUTLIER -86.54 -47.72 16.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.555 HD21 HG11 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -60.23 -28.5 68.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.494 ' O ' ' CB ' ' A' ' 105' ' ' TYR . 0.8 OUTLIER -84.51 -49.11 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.493 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -63.08 -27.17 69.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.424 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 6.9 mmm180 -81.42 -65.05 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.416 ' ND2' ' O ' ' A' ' 100' ' ' LEU . 5.5 m-80 -49.48 -45.43 46.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.494 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 12.8 t80 -50.45 -52.88 34.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.951 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -51.58 -51.2 57.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.422 HG12 ' C ' ' A' ' 11' ' ' CYS . 55.2 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.16 -46.18 5.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.488 ' O ' HG13 ' A' ' 38' ' ' VAL . 34.8 t -144.0 107.55 4.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 108.249 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.98 127.03 40.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 109.996 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.472 HG21 ' CA ' ' A' ' 28' ' ' GLY . 89.8 t -86.8 121.23 37.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.736 HG21 ' CD2' ' A' ' 49' ' ' LEU . 2.6 mm -98.18 113.53 33.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.564 HG22 ' O ' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -128.73 95.92 2.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.1 m -65.75 -44.44 93.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.564 ' O ' HG22 ' A' ' 15' ' ' VAL . 2.2 t-20 -76.49 170.9 15.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.59 -29.02 8.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -50.65 -42.07 56.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.265 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.3 p -83.33 49.41 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.395 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -86.17 -50.54 6.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.252 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -75.94 -17.53 59.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.445 ' CE1' HG23 ' A' ' 67' ' ' ILE . 37.4 t80 -84.96 -63.94 1.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 111.044 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.709 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -51.81 -33.65 36.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.807 ' HG2' HD22 ' A' ' 40' ' ' LEU . 5.7 mt-10 -63.12 -12.19 25.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 29' ' ' ARG . 24.5 t -89.15 -68.95 0.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.989 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.628 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -46.75 -26.78 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.715 ' O ' HG11 ' A' ' 38' ' ' VAL . . . -75.19 -37.23 43.15 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.45 1.094 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.4 ptt-85 -81.88 -28.34 32.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 110.33 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -59.5 -34.98 73.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.886 ' HB ' HG21 ' A' ' 38' ' ' VAL . 74.7 t -74.65 -26.37 19.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 -74.67 -31.35 61.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -61.27 -15.44 35.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.6 OUTLIER -94.21 -11.77 29.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.65 30.36 7.67 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.135 . . . . 0.0 111.065 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.525 ' O ' HG23 ' A' ' 38' ' ' VAL . 95.6 mtp -114.67 136.2 53.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 0.779 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 49.7 t -66.39 120.63 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.886 HG21 ' HB ' ' A' ' 31' ' ' VAL . 35.9 t -128.85 152.5 37.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -146.47 167.48 23.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.807 HD22 ' HG2' ' A' ' 25' ' ' GLU . 1.5 mp -116.96 128.97 55.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.9 mt -113.4 102.89 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.448 ' CZ ' HD23 ' A' ' 40' ' ' LEU . 48.4 m-85 -93.31 114.69 27.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.1 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.736 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.8 OUTLIER -48.82 -58.83 4.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 53' ' ' LEU . 96.3 p -39.46 -55.04 1.86 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.004 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.3 -41.78 0.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 110.279 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.748 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -76.64 -43.02 39.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.445 ' HG ' HD22 ' A' ' 49' ' ' LEU . 51.2 mt -58.9 -28.89 66.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -70.81 -47.95 56.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -67.71 -23.3 65.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.824 HG11 ' HB2' ' A' ' 64' ' ' ALA . 36.7 t -62.68 -56.6 16.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.43 -60.9 2.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.0 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.421 ' HG2' ' N ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -52.24 -41.52 62.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.421 ' N ' ' HG2' ' A' ' 58' ' ' ARG . . . -64.59 -26.63 71.03 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.518 1.136 . . . . 0.0 110.972 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.88 -33.36 4.62 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.7 ' HB3' HG13 ' A' ' 56' ' ' VAL . 1.1 m -39.07 107.29 0.42 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.552 0.795 . . . . 0.0 109.985 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.429 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.3 Cg_endo -75.0 -34.75 3.58 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.48 1.779 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.571 ' CE1' HG12 ' A' ' 81' ' ' ILE . 15.6 m-30 -115.58 137.83 51.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.824 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -132.08 123.04 26.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.472 HG23 ' HB2' ' A' ' 77' ' ' CYS . 22.7 mt -95.41 134.33 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.555 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 0.5 OUTLIER -99.03 132.41 44.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.709 HG21 ' HB2' ' A' ' 24' ' ' ALA . 4.1 mm -128.89 149.37 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.53 HG22 ' ND1' ' A' ' 71' ' ' HIS . 5.2 t -174.49 155.71 2.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 110.376 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -38.52 -65.27 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.282 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.798 ' HA ' HD12 ' A' ' 73' ' ' ILE . 1.3 tp60 -44.06 -61.19 1.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.555 ' CE1' ' CG1' ' A' ' 66' ' ' VAL . 8.9 m170 -41.91 -55.18 3.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.608 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.437 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 3.9 tt0 -39.09 -45.22 1.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.26 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.798 HD12 ' HA ' ' A' ' 70' ' ' GLN . 16.6 mt -57.95 -54.78 27.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 39.2 m-70 -74.58 -2.91 28.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.634 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.482 ' N ' ' O ' ' A' ' 71' ' ' HIS . 0.0 OUTLIER 49.07 23.1 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.326 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.69 159.11 22.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.997 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.472 ' HB2' HG23 ' A' ' 65' ' ' ILE . 3.6 p -133.45 175.36 9.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 108.298 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.7 m -113.43 112.9 24.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 110.407 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 61.3 t -90.18 113.63 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -116.59 116.72 28.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.571 HG12 ' CE1' ' A' ' 63' ' ' PHE . 47.1 mt -79.52 149.67 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.429 ' N ' ' O ' ' A' ' 62' ' ' PRO . 9.6 mmt -114.64 -23.72 9.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.419 ' O ' ' CG2' ' A' ' 81' ' ' ILE . 0.5 OUTLIER -105.93 152.89 22.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.04 -171.74 34.84 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.762 HG23 ' HD2' ' A' ' 86' ' ' PRO . 2.5 m -40.49 146.56 0.43 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 110.407 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.762 ' HD2' HG23 ' A' ' 85' ' ' THR . 18.3 Cg_endo -75.03 91.05 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.481 1.779 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.61 114.47 28.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.329 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -113.83 113.45 24.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.31 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -100.37 119.45 38.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.61 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.7 mtt-85 -107.44 134.76 50.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 57.74 90.41 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.418 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 22.1 mmm -133.7 136.48 26.78 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 92' ' ' MET . 18.3 Cg_endo -75.01 144.39 30.13 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.449 1.763 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.499 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 0.0 OUTLIER -37.97 -70.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 98' ' ' MET . . . -37.81 -70.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -42.28 -46.15 4.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 94' ' ' GLN . . . -60.0 -43.26 95.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -66.21 -28.96 69.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -82.57 -44.66 19.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.35 -30.52 71.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.8 OUTLIER -83.87 -48.04 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.475 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -61.42 -34.66 75.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.3 mmm180 -73.9 -59.47 2.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 110.326 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -54.3 -49.63 69.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.441 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 17.2 t80 -46.32 -53.22 11.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -42.36 -54.78 3.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 110.329 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.27 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.417 ' CG1' ' N ' ' A' ' 10' ' ' ASP . 9.7 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.417 ' N ' ' CG1' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -91.0 -43.86 9.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.564 ' O ' HG13 ' A' ' 38' ' ' VAL . 0.6 OUTLIER -142.03 111.99 6.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 108.247 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.46 131.21 36.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.032 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.554 HG21 ' CA ' ' A' ' 28' ' ' GLY . 44.9 t -92.29 124.94 44.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.679 HG21 ' CD2' ' A' ' 49' ' ' LEU . 2.3 mm -110.25 111.02 34.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.61 106.63 20.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.017 HG12 HD12 ' A' ' 43' ' ' LEU . 9.6 m -91.64 -32.52 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.656 ' OD1' HG23 ' A' ' 20' ' ' THR . 12.8 t-20 -51.32 164.41 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.459 ' N ' ' CG ' ' A' ' 17' ' ' ASN . 8.4 tptt -69.72 -81.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -94.87 100.03 11.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.656 HG23 ' OD1' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -152.62 23.51 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.409 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.562 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 8.0 ttmt -70.94 -62.87 1.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -44.4 -39.0 4.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.673 ' HE2' HD12 ' A' ' 67' ' ' ILE . 44.7 t80 -75.02 -65.18 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.22 -49.0 23.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.831 ' HG2' HD22 ' A' ' 40' ' ' LEU . 53.2 mt-10 -50.9 -21.29 1.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 29' ' ' ARG . 5.0 t -83.45 -68.22 0.73 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.036 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.823 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -49.6 -26.96 2.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.647 ' O ' HG11 ' A' ' 38' ' ' VAL . . . -75.58 -26.66 64.86 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -91.07 -35.14 14.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 110.312 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.87 -39.15 24.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.969 ' HB ' HG21 ' A' ' 38' ' ' VAL . 60.6 t -72.38 -29.53 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 29' ' ' ARG . 30.8 mtp180 -71.88 -31.77 66.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.336 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -59.88 -19.41 51.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.7 OUTLIER -89.84 -11.62 41.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.11 25.57 12.57 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.125 . . . . 0.0 110.995 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.459 ' HB2' HG12 ' A' ' 31' ' ' VAL . 89.8 mtp -108.74 136.69 47.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 0.772 . . . . 0.0 110.991 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.6 t -66.62 126.85 26.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.969 HG21 ' HB ' ' A' ' 31' ' ' VAL . 96.4 t -136.59 149.19 26.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -135.34 168.09 19.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.831 HD22 ' HG2' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -121.08 126.22 49.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.5 mt -114.48 114.05 45.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.562 ' CE1' ' HB2' ' A' ' 21' ' ' LYS . 47.7 m-85 -103.16 121.33 42.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 1.017 HD12 HG12 ' A' ' 16' ' ' VAL . 80.5 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.34 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.679 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.9 OUTLIER -40.47 -57.81 1.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 53' ' ' LEU . 94.6 p -39.24 -55.29 1.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.015 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -39.14 -39.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . -80.33 -43.32 21.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.507 ' HG ' HD22 ' A' ' 49' ' ' LEU . 68.2 mt -57.92 -32.68 67.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -67.52 -39.17 85.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.85 -26.16 62.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.686 HG13 ' HB3' ' A' ' 61' ' ' SER . 15.5 t -64.3 -72.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -45.06 -63.92 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.01 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.425 ' HG2' ' N ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER -52.92 -37.96 61.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.425 ' N ' ' HG2' ' A' ' 58' ' ' ARG . . . -66.25 -22.86 71.27 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.491 1.12 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 114.44 -33.53 5.35 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.686 ' HB3' HG13 ' A' ' 56' ' ' VAL . 0.4 OUTLIER -39.47 112.87 0.8 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.543 0.79 . . . . 0.0 110.029 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -39.34 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.561 1.821 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.568 ' CE1' HG12 ' A' ' 81' ' ' ILE . 14.4 m-30 -113.76 147.05 38.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.123 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.531 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -137.05 125.76 23.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.355 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.6 mt -95.33 129.85 44.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.602 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 1.2 t -95.31 123.18 47.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.823 HD11 HG11 ' A' ' 27' ' ' VAL . 6.4 mm -122.55 157.46 27.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.602 HG22 ' ND1' ' A' ' 71' ' ' HIS . 11.0 t -174.09 -158.42 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.419 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.486 ' N ' HG23 ' A' ' 68' ' ' THR . 2.7 tt0 -73.66 -63.44 1.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' A' ' 73' ' ' ILE . 0.0 OUTLIER -54.02 -54.43 39.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.278 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.602 ' CE1' ' CG1' ' A' ' 66' ' ' VAL . 27.9 m170 -43.94 -32.39 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.639 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.439 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 1.4 tt0 -74.71 -44.21 51.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.264 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 70' ' ' GLN . 64.5 mt -61.19 -47.22 94.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -85.47 -10.1 56.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.61 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 71' ' ' HIS . 0.0 OUTLIER 58.04 30.67 19.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.459 ' O ' ' CD2' ' A' ' 71' ' ' HIS . 57.5 p -123.91 137.46 54.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.031 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.604 ' HB3' HD13 ' A' ' 67' ' ' ILE . 1.5 p -120.05 174.3 6.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 108.281 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.841 HG23 ' O ' ' A' ' 89' ' ' HIS . 7.0 m -113.25 116.78 30.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 110.437 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.0 t -90.41 119.59 37.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -117.64 120.73 38.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.568 HG12 ' CE1' ' A' ' 63' ' ' PHE . 37.1 mt -83.45 143.09 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.0 mmt -107.01 -28.76 9.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.593 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -95.89 149.78 21.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.958 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.04 -169.64 38.79 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.732 HG23 ' HD2' ' A' ' 86' ' ' PRO . 2.4 m -43.17 146.5 0.82 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 110.406 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.732 ' HD2' HG23 ' A' ' 85' ' ' THR . 18.3 Cg_endo -75.04 99.12 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.529 1.805 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -112.68 115.95 29.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -112.7 107.12 15.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.841 ' O ' HG23 ' A' ' 78' ' ' THR . 63.1 m-70 -94.47 110.57 22.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.639 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 45.6 mtp180 -101.56 135.58 42.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.8 m120 58.57 92.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 11.2 mmm -141.66 137.21 16.07 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.542 1.152 . . . . 0.0 110.939 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 148.6 35.53 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.476 1.777 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.421 ' NE2' ' CG2' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -49.8 -65.88 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.348 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -39.08 -42.41 0.91 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 99' ' ' VAL . 0.4 OUTLIER -71.08 -56.61 5.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -49.38 -28.36 4.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.457 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 29.7 mmt -73.81 -30.18 62.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.445 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.3 OUTLIER -80.92 -41.77 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.42 ' O ' ' ND2' ' A' ' 104' ' ' ASN . 0.1 OUTLIER -65.07 -28.67 69.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.501 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.6 OUTLIER -88.63 -49.85 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.501 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -58.76 -36.5 74.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.445 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 2.2 mmt85 -73.19 -71.3 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 100' ' ' LEU . 7.0 m-80 -41.88 -57.62 2.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.481 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 13.6 t80 -38.13 -58.12 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -42.39 -56.85 2.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.8 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.84 -45.8 71.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.348 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 t -141.74 107.61 5.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 108.266 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.11 125.21 36.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 110.039 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.424 ' CG1' HG13 ' A' ' 67' ' ' ILE . 62.5 t -88.62 115.36 28.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.717 HG21 ' CD2' ' A' ' 49' ' ' LEU . 3.9 mm -93.89 112.11 26.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 17' ' ' ASN . 0.9 OUTLIER -126.07 95.8 3.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.667 HG12 HD12 ' A' ' 43' ' ' LEU . 5.9 m -72.42 -29.91 32.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.499 ' O ' ' CG2' ' A' ' 15' ' ' VAL . 14.2 m-80 -95.26 122.14 37.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -66.09 -40.26 90.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.5 -41.75 1.5 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.344 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.427 ' CG2' ' HB2' ' A' ' 72' ' ' GLN . 1.3 p -88.61 65.09 7.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.388 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -90.52 -54.56 3.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -65.79 -56.24 12.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.498 ' CE2' ' HA ' ' A' ' 72' ' ' GLN . 4.7 t80 -42.39 -49.61 5.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.701 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -70.27 -41.68 73.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.15 -21.61 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 29' ' ' ARG . 5.6 t -84.51 -67.79 0.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 109.978 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.658 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -39.14 -32.76 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.815 ' HA2' HG11 ' A' ' 38' ' ' VAL . . . -73.82 -49.64 13.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 26' ' ' SER . 2.1 ptm180 -64.82 -26.74 68.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -63.69 -42.72 97.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.269 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.711 ' HB ' HG21 ' A' ' 38' ' ' VAL . 60.1 t -70.5 -25.99 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 0.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.406 ' HG2' HG23 ' A' ' 38' ' ' VAL . 7.7 mtm180 -74.99 -34.83 62.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -59.22 -17.98 32.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.582 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.9 OUTLIER -90.49 -10.55 43.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.15 31.37 8.09 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.529 1.143 . . . . 0.0 110.966 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.605 ' SD ' ' CE1' ' A' ' 105' ' ' TYR . 32.4 mmm -116.61 139.03 50.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 0.734 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.2 t -67.34 128.37 30.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.815 HG11 ' HA2' ' A' ' 28' ' ' GLY . 23.6 t -131.72 148.09 32.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -139.02 167.53 21.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -123.62 125.37 44.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.0 mt -110.85 106.06 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -92.1 116.0 28.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.667 HD12 HG12 ' A' ' 16' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 55.4 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.717 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.4 OUTLIER -57.3 -59.71 4.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 53' ' ' LEU . 78.9 p -45.52 -56.14 5.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.94 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -43.84 -36.56 2.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.268 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.934 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -79.11 -37.88 37.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.538 ' HG ' HD22 ' A' ' 49' ' ' LEU . 33.4 mt -59.16 -29.7 67.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -71.89 -55.11 8.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.429 ' HA ' ' CG ' ' A' ' 58' ' ' ARG . 2.0 t70 -59.63 -23.45 63.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.934 HG23 ' O ' ' A' ' 52' ' ' ALA . 41.6 t -64.59 -65.03 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.8 t -66.53 -55.56 14.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.021 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.445 ' CD ' ' C ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -51.67 -26.05 8.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.428 ' N ' ' HG3' ' A' ' 58' ' ' ARG . . . -83.43 -32.12 25.97 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 129.9 -29.31 3.76 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.549 ' HB2' HG13 ' A' ' 56' ' ' VAL . 73.9 m -38.79 113.35 0.76 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 0.78 . . . . 0.0 110.04 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.2 Cg_endo -75.02 -45.66 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.78 . . . . 0.0 110.968 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.493 ' CE1' HG12 ' A' ' 81' ' ' ILE . 11.8 m-30 -113.95 143.82 44.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.624 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -140.22 124.67 17.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 49.5 mt -95.72 142.26 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.553 ' CG2' HD11 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -104.8 128.5 58.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.701 HG21 ' HB2' ' A' ' 24' ' ' ALA . 4.3 mm -125.49 147.92 30.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.337 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.508 HG22 ' ND1' ' A' ' 71' ' ' HIS . 5.4 t -173.77 160.56 3.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.374 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.86 -60.58 2.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.663 ' HA ' HD12 ' A' ' 73' ' ' ILE . 6.1 tt0 -46.33 -47.84 18.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.333 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.53 ' CE1' ' CG1' ' A' ' 66' ' ' VAL . 9.1 m170 -59.3 -39.82 84.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.598 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.498 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 12.0 tt0 -56.16 -21.0 20.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.663 HD12 ' HA ' ' A' ' 70' ' ' GLN . 18.3 mt -87.19 -49.76 14.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -76.13 -2.88 33.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.612 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 71' ' ' HIS . 3.1 mmm180 46.09 38.08 4.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.294 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.2 p -132.83 159.64 39.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.167 . . . . 0.0 110.008 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.543 ' SG ' HG21 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -129.4 175.63 8.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 108.319 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.621 HG23 ' HA ' ' A' ' 90' ' ' ARG . 53.3 m -121.11 109.55 15.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.413 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.515 HG11 HD21 ' A' ' 100' ' ' LEU . 88.3 t -89.64 126.84 42.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 61.5 m-20 -130.4 114.97 16.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.493 HG12 ' CE1' ' A' ' 63' ' ' PHE . 55.5 mt -75.05 150.34 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 62' ' ' PRO . 4.7 mmt -125.91 0.65 7.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.96 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.42 ' O ' ' O ' ' A' ' 84' ' ' GLY . 0.3 OUTLIER -131.02 141.69 50.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 111.009 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' A' ' 85' ' ' THR . . . 52.76 106.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.437 ' O ' ' O ' ' A' ' 84' ' ' GLY . 22.1 m 56.23 113.19 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.485 0.756 . . . . 0.0 110.421 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 92.83 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.427 1.751 . . . . 0.0 111.045 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -107.89 152.6 24.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.345 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -136.92 107.21 6.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.482 ' CD2' HD11 ' A' ' 100' ' ' LEU . 91.6 m-70 -95.99 114.52 26.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.583 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.621 ' HA ' HG23 ' A' ' 78' ' ' THR . 17.8 mtm180 -108.59 145.95 34.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.334 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 42.8 m-20 58.53 80.85 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 17.2 mmm -134.5 134.38 22.35 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 137.33 21.62 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.447 1.762 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -38.77 -64.49 0.44 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.446 1.092 . . . . 0.0 110.271 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -37.74 -56.7 1.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -60.79 -50.68 72.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.316 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -50.47 -37.58 39.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.411 ' O ' HG12 ' A' ' 101' ' ' VAL . 30.5 mmt -69.06 -26.5 64.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.496 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.4 OUTLIER -86.2 -43.56 16.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.246 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.515 HD21 HG11 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -62.69 -28.04 69.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.476 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.8 OUTLIER -85.66 -47.83 16.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.476 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -63.18 -34.61 78.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 5.4 mmm-85 -70.2 -68.81 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -44.11 -51.02 8.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.605 ' CE1' ' SD ' ' A' ' 36' ' ' MET . 9.2 t80 -47.7 -55.39 9.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -44.07 -60.43 1.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.272 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.7 t . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.76 -46.4 10.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 8.5 t -148.83 114.52 5.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 108.273 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.2 m -96.55 128.15 43.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.483 HG21 ' CA ' ' A' ' 28' ' ' GLY . 84.7 t -86.73 120.49 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.685 HG21 ' CD2' ' A' ' 49' ' ' LEU . 3.1 mm -97.22 112.93 30.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.257 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.418 ' CG2' ' O ' ' A' ' 17' ' ' ASN . 0.9 OUTLIER -125.66 102.86 10.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.127 . . . . 0.0 109.268 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.722 HG12 HD12 ' A' ' 43' ' ' LEU . 10.2 m -80.28 -28.28 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.418 ' O ' ' CG2' ' A' ' 15' ' ' VAL . 15.3 m120 -100.15 121.83 42.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -62.75 -40.78 98.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 0.0 109.328 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.93 -43.32 2.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.495 HG22 ' CG ' ' A' ' 72' ' ' GLN . 1.2 p -82.97 55.86 3.25 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.521 1.138 . . . . 0.0 110.434 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.515 ' O ' ' CG ' ' A' ' 25' ' ' GLU . 14.5 tttt -89.62 -67.48 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.92 -39.59 54.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -67.17 -64.41 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.951 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.986 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -52.38 -35.76 52.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.576 ' HG2' HD21 ' A' ' 40' ' ' LEU . 5.4 mm-40 -61.75 -21.54 64.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 29' ' ' ARG . 8.3 t -80.78 -68.01 0.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.042 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.602 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -44.43 -32.69 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.641 ' HA2' HG11 ' A' ' 38' ' ' VAL . . . -73.7 -39.23 49.0 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 26' ' ' SER . 4.6 ptm180 -78.52 -22.01 47.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 0.764 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -68.82 -37.29 79.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.762 ' HB ' HG21 ' A' ' 38' ' ' VAL . 68.4 t -72.46 -20.57 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.6 mtp180 -80.58 -32.11 36.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -59.72 -17.35 34.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.38 -12.53 34.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.3 4.85 54.94 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.538 ' HB2' HG12 ' A' ' 31' ' ' VAL . 56.6 mtp -88.42 134.45 33.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 0.791 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.5 t -65.69 128.36 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.762 HG21 ' HB ' ' A' ' 31' ' ' VAL . 36.4 t -130.54 150.18 34.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -138.36 168.69 19.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.576 HD21 ' HG2' ' A' ' 25' ' ' GLU . 1.8 mp -125.64 127.95 47.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 20.6 mt -115.8 99.97 9.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -89.36 115.71 27.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.722 HD12 HG12 ' A' ' 16' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.0 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.685 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.6 OUTLIER -65.77 -53.33 41.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 96.7 p -47.16 -46.64 23.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.023 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -45.99 -35.51 4.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.331 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.959 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -79.67 -40.02 30.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 53' ' ' LEU . 44.9 mt -58.94 -39.44 81.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -63.0 -38.18 90.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.285 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.33 -27.06 35.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.959 HG23 ' O ' ' A' ' 52' ' ' ALA . 52.5 t -60.3 -44.0 94.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 60' ' ' GLY . 0.0 OUTLIER -66.7 -66.46 0.55 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 110.063 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.42 ' HB2' ' NH1' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -46.28 -36.37 6.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.404 ' N ' ' CG ' ' A' ' 58' ' ' ARG . . . -62.94 -31.98 82.43 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 57' ' ' SER . . . 118.79 -30.53 5.88 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.602 ' HB2' HG13 ' A' ' 56' ' ' VAL . 0.7 OUTLIER -38.54 110.28 0.55 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 110.04 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.2 Cg_endo -75.0 -34.84 3.51 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.492 1.785 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 15.8 m-30 -115.99 149.13 39.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 111.059 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.521 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -145.77 126.75 14.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.471 HG23 ' HB3' ' A' ' 77' ' ' CYS . 27.5 mt -100.43 139.56 21.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.611 ' CG2' HD11 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -100.33 132.38 46.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.986 HG21 ' HB2' ' A' ' 24' ' ' ALA . 6.4 mm -129.08 147.38 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.548 HG23 ' N ' ' A' ' 69' ' ' GLN . 0.5 OUTLIER -175.93 176.11 1.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.386 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.548 ' N ' HG23 ' A' ' 68' ' ' THR . 0.5 OUTLIER -49.73 -65.43 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.451 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.9 mm100 -49.06 -66.78 0.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.513 ' CE1' ' CG1' ' A' ' 66' ' ' VAL . 36.8 m80 -37.43 -35.87 0.14 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.588 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.495 ' CG ' HG22 ' A' ' 20' ' ' THR . 8.4 tt0 -62.46 -55.47 27.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 70' ' ' GLN . 6.0 mt -57.3 -59.59 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -62.52 -17.66 60.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.621 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 71' ' ' HIS . 5.8 mtp180 58.91 31.46 21.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.4 p -124.71 140.36 53.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.989 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.471 ' HB3' HG23 ' A' ' 65' ' ' ILE . 3.1 m -117.15 176.6 5.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 108.305 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.6 m -117.7 118.61 32.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.418 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.83 HG11 HD21 ' A' ' 100' ' ' LEU . 60.0 t -89.63 107.89 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -111.92 110.94 21.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 58.1 mt -79.28 149.66 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 62' ' ' PRO . 7.6 mmt -113.75 -24.83 8.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.57 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -98.39 151.07 20.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 67.51 -157.54 51.79 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.534 1.146 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.732 HG23 ' HD2' ' A' ' 86' ' ' PRO . 2.6 m -57.42 146.52 63.2 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 110.445 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.732 ' HD2' HG23 ' A' ' 85' ' ' THR . 18.2 Cg_endo -75.02 99.07 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.528 1.804 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -114.7 109.4 18.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.262 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -108.58 97.69 7.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -83.3 109.94 17.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.596 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.7 mtp-105 -94.06 132.56 38.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.6 t30 66.96 89.24 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.41 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 39.0 mtp -131.74 131.41 22.72 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 94' ' ' GLN . 18.3 Cg_endo -75.03 139.98 24.83 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.578 1.831 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -37.76 -65.68 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 110.339 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -38.55 -72.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 99' ' ' VAL . 1.0 OUTLIER -45.12 -52.46 9.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 94' ' ' GLN . . . -49.78 -41.39 44.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 27.6 mmt -72.57 -22.26 61.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.508 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.4 OUTLIER -86.08 -50.13 14.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.83 HD21 HG11 ' A' ' 79' ' ' VAL . 0.1 OUTLIER -54.23 -41.28 68.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.426 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.5 OUTLIER -68.43 -45.1 82.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.426 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -71.12 -14.12 62.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.508 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 8.4 mmm-85 -88.18 -55.74 3.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.415 ' CG ' ' O ' ' A' ' 100' ' ' LEU . 2.7 m120 -58.28 -56.56 20.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.4 ' C ' ' O ' ' A' ' 104' ' ' ASN . 29.6 t80 -37.77 -48.73 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -50.13 -58.58 5.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.33 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.573 HG12 ' C ' ' A' ' 11' ' ' CYS . 73.1 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -40.23 -39.76 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.623 ' SG ' HD12 ' A' ' 65' ' ' ILE . 41.8 t -143.87 121.29 11.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 108.309 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.3 m -104.51 122.26 45.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.0 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.2 t -87.23 118.5 33.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.542 HG21 ' CD2' ' A' ' 49' ' ' LEU . 2.1 mm -100.56 102.81 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -110.99 99.43 8.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.009 HG12 HD12 ' A' ' 43' ' ' LEU . 33.3 m -79.99 58.42 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 174.43 -171.36 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -123.16 -43.69 2.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.5 -43.79 1.32 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.28 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.4 p -89.07 51.96 2.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.393 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -85.96 -56.58 3.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.433 1.083 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.99 -46.64 86.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -57.55 -60.97 2.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 111.053 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.61 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -52.65 -38.62 60.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.855 ' CG ' HD22 ' A' ' 40' ' ' LEU . 3.3 mt-10 -63.79 -10.78 21.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.147 . . . . 0.0 110.333 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.465 ' HA ' ' CZ ' ' A' ' 29' ' ' ARG . 7.2 t -89.27 -70.87 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.994 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.642 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -41.89 -30.52 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.645 ' HA2' HG11 ' A' ' 38' ' ' VAL . . . -75.09 -45.69 19.1 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.531 1.144 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.465 ' CZ ' ' HA ' ' A' ' 26' ' ' SER . 0.3 OUTLIER -70.39 -29.17 65.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 0.776 . . . . 0.0 110.294 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -59.94 -39.01 84.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.935 ' HB ' HG21 ' A' ' 38' ' ' VAL . 97.1 t -70.27 -27.22 31.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -73.22 -33.01 65.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 110.254 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -60.04 -17.74 41.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.5 OUTLIER -91.48 -11.92 36.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.345 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.96 31.49 6.94 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.455 1.097 . . . . 0.0 111.034 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.609 ' HB2' HG12 ' A' ' 31' ' ' VAL . 91.2 mtp -115.64 134.32 55.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 0.801 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.6 t -66.41 119.21 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.935 HG21 ' HB ' ' A' ' 31' ' ' VAL . 48.5 t -129.96 151.06 35.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.401 ' CG ' ' N ' ' A' ' 40' ' ' LEU . 16.4 t70 -144.03 168.42 20.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.855 HD22 ' CG ' ' A' ' 25' ' ' GLU . 1.5 mp -116.41 132.31 56.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 24.4 mt -114.75 106.31 20.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -93.02 120.56 33.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 1.009 HD12 HG12 ' A' ' 16' ' ' VAL . 39.2 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.9 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.002 -0.369 . . . . 0.0 110.002 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.542 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.3 OUTLIER -46.49 -55.13 7.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.6 p -44.43 -47.76 9.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.001 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -47.62 -31.45 4.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.335 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.453 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -83.11 -38.64 22.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 53' ' ' LEU . 23.6 mt -56.75 -44.15 81.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -57.67 -37.75 73.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.434 ' HA ' ' CG ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER -68.82 -33.38 73.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.941 HG11 ' HB2' ' A' ' 64' ' ' ALA . 69.2 t -64.75 -40.24 88.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.11 -51.16 7.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 110.037 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.447 ' HG3' ' N ' ' A' ' 59' ' ' GLY . 0.1 OUTLIER -63.88 -22.52 66.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.324 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.447 ' N ' ' HG3' ' A' ' 58' ' ' ARG . . . -85.65 -32.42 18.81 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 61' ' ' SER . . . 124.82 -29.57 4.88 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.859 ' HB3' HG13 ' A' ' 56' ' ' VAL . 1.0 OUTLIER -38.1 117.09 0.9 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 110.002 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.415 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.4 Cg_endo -75.0 -45.14 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.526 1.803 . . . . 0.0 111.017 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.563 ' CD1' HG12 ' A' ' 81' ' ' ILE . 9.9 m-30 -112.74 153.0 28.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.941 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -144.3 125.37 14.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.623 HD12 ' SG ' ' A' ' 11' ' ' CYS . 8.8 mt -95.23 141.43 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.65 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 0.4 OUTLIER -107.88 131.94 56.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.642 HD11 HG11 ' A' ' 27' ' ' VAL . 4.7 mm -125.79 150.87 31.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.411 HG22 ' CG ' ' A' ' 71' ' ' HIS . 2.5 t -174.62 161.48 3.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.441 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 68' ' ' THR . 8.7 mt-30 -38.38 -64.99 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.34 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 73' ' ' ILE . 0.0 OUTLIER -50.9 -62.27 1.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.327 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.65 ' CE1' ' CG1' ' A' ' 66' ' ' VAL . 21.1 m170 -39.78 -37.16 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.627 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -62.24 -50.6 71.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 70' ' ' GLN . 12.7 mt -56.25 -65.41 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -61.65 -17.64 56.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 109.617 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 71' ' ' HIS . 6.4 mtp180 61.93 33.99 17.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.269 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.4 p -123.54 143.14 50.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.978 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.521 ' HB2' HG23 ' A' ' 65' ' ' ILE . 1.7 p -121.19 175.5 6.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 108.327 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.643 HG23 ' O ' ' A' ' 89' ' ' HIS . 52.3 m -116.56 114.45 24.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.372 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.594 HG11 HD21 ' A' ' 100' ' ' LEU . 57.7 t -90.91 113.63 26.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -112.59 118.33 34.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.563 HG12 ' CD1' ' A' ' 63' ' ' PHE . 29.6 mt -84.82 144.28 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 62' ' ' PRO . 9.9 mmt -107.86 -28.02 9.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 111.045 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.609 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.3 OUTLIER -100.61 149.26 23.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 111.003 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.0 -165.59 54.77 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.472 1.108 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.738 HG23 ' HD2' ' A' ' 86' ' ' PRO . 2.6 m -51.16 146.46 11.18 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.528 0.781 . . . . 0.0 110.386 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.738 ' HD2' HG23 ' A' ' 85' ' ' THR . 18.3 Cg_endo -75.0 101.2 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.529 1.805 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -116.15 110.45 18.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -104.29 103.31 13.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.643 ' O ' HG23 ' A' ' 78' ' ' THR . 75.3 m-70 -88.05 110.96 21.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.61 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.9 mtp85 -103.2 128.91 50.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 60.08 94.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.464 ' CE ' ' HB3' ' A' ' 96' ' ' ASP . 9.6 mmm -138.95 136.99 18.81 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 92' ' ' MET . 18.2 Cg_endo -74.98 139.02 23.83 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.547 1.814 . . . . 0.0 111.019 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.46 ' CG ' HG23 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -39.13 -64.4 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.303 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -39.65 -49.58 2.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.464 ' HB3' ' CE ' ' A' ' 92' ' ' MET . 0.5 OUTLIER -62.89 -58.36 7.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -46.65 -43.34 17.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.411 ' O ' HG12 ' A' ' 101' ' ' VAL . 32.2 mmt -62.83 -29.22 70.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 111.039 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 96' ' ' ASP . 0.4 OUTLIER -83.41 -42.31 17.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.594 HD21 HG11 ' A' ' 79' ' ' VAL . 0.1 OUTLIER -63.85 -28.57 69.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.1 . . . . 0.0 109.267 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.498 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.5 OUTLIER -87.26 -49.66 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.349 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.498 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -60.73 -34.1 73.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.353 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.42 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 5.5 mmm180 -72.48 -66.8 0.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 110.259 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -49.01 -56.5 8.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.494 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 17.3 t80 -38.35 -57.71 1.09 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 111.046 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -41.01 -56.77 2.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.346 179.952 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.81 -42.82 3.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.58 ' O ' HG13 ' A' ' 38' ' ' VAL . 14.1 t -149.38 106.05 3.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 108.312 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.62 135.39 33.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.029 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.562 HG21 ' CA ' ' A' ' 28' ' ' GLY . 57.5 t -90.47 133.27 32.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.746 HG21 ' CD2' ' A' ' 49' ' ' LEU . 3.0 mm -110.1 110.84 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.581 HG22 ' O ' ' A' ' 17' ' ' ASN . 0.3 OUTLIER -125.85 97.17 4.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 109.349 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.649 HG12 ' CD1' ' A' ' 43' ' ' LEU . 10.8 m -68.96 -39.15 79.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.581 ' O ' HG22 ' A' ' 15' ' ' VAL . 4.7 m120 -79.93 173.08 12.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -111.22 -32.15 6.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -50.94 -38.9 53.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.665 HG21 ' O ' ' A' ' 68' ' ' THR . 5.6 p -86.45 50.19 1.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.371 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.462 ' HE3' ' CZ ' ' A' ' 42' ' ' PHE . 1.6 tttt -87.49 -40.99 13.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.32 -32.94 29.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.494 ' HE1' HG23 ' A' ' 67' ' ' ILE . 17.3 t80 -72.69 -54.57 8.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.962 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.742 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -58.02 -38.98 77.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.877 ' CG ' HD22 ' A' ' 40' ' ' LEU . 6.0 mt-10 -62.8 -12.16 22.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 29' ' ' ARG . 5.1 t -87.45 -67.67 0.81 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.108 . . . . 0.0 109.958 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.802 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -50.35 -29.16 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.665 ' O ' HG11 ' A' ' 38' ' ' VAL . . . -71.39 -23.52 77.96 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 0.0 110.941 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 26' ' ' SER . 3.5 ptm180 -93.02 -33.55 14.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 110.272 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.07 -33.55 26.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.96 ' HB ' HG21 ' A' ' 38' ' ' VAL . 19.1 t -77.8 -28.88 15.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 29' ' ' ARG . 27.9 mtm180 -73.43 -31.74 63.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -59.81 -18.01 40.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.5 OUTLIER -90.86 -11.68 38.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.97 25.67 11.15 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.499 1.124 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 89.3 mtp -108.25 135.33 49.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 0.784 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.4 t -65.91 123.56 19.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.96 HG21 ' HB ' ' A' ' 31' ' ' VAL . 86.0 t -136.46 150.98 27.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 0.0 109.278 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -142.87 168.2 20.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.877 HD22 ' CG ' ' A' ' 25' ' ' GLU . 0.8 OUTLIER -115.43 128.58 56.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.453 ' O ' HG13 ' A' ' 15' ' ' VAL . 18.5 mt -111.02 110.09 30.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.261 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.462 ' CZ ' ' HE3' ' A' ' 21' ' ' LYS . 41.5 m-85 -97.66 125.77 42.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.649 ' CD1' HG12 ' A' ' 16' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.746 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.4 OUTLIER -58.23 -62.22 1.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.26 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 85.8 p -44.98 -48.23 11.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.986 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -45.51 -32.53 2.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 1.011 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -87.1 -40.82 14.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.406 ' HG ' HD22 ' A' ' 49' ' ' LEU . 54.4 mt -58.86 -44.59 91.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -61.43 -34.49 75.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -80.89 -31.28 35.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 1.011 HG23 ' O ' ' A' ' 52' ' ' ALA . 69.8 t -60.1 -47.47 91.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -63.83 0.99 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 110.011 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.449 ' CG ' ' N ' ' A' ' 59' ' ' GLY . 0.3 OUTLIER -51.83 -39.32 58.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.274 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.449 ' N ' ' CG ' ' A' ' 58' ' ' ARG . . . -61.71 -32.16 80.62 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 127.08 -35.08 2.94 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.679 ' CB ' HG13 ' A' ' 56' ' ' VAL . 1.2 m -39.12 112.23 0.71 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.513 0.772 . . . . 0.0 110.046 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.1 Cg_endo -75.07 -41.59 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 110.967 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.573 ' CE1' HG12 ' A' ' 81' ' ' ILE . 14.3 m-30 -113.75 146.79 39.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 111.02 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.734 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -138.14 126.51 23.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.443 HG22 HG12 ' A' ' 67' ' ' ILE . 6.1 mt -97.52 130.53 46.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.6 HG22 HD11 ' A' ' 49' ' ' LEU . 0.5 OUTLIER -94.67 121.57 45.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.584 1.177 . . . . 0.0 109.331 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.802 HD11 HG11 ' A' ' 27' ' ' VAL . 4.4 mm -125.91 131.39 71.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.665 ' O ' HG21 ' A' ' 20' ' ' THR . 38.3 p -146.63 -165.73 2.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.391 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.24 -64.74 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.922 ' HA ' HD12 ' A' ' 73' ' ' ILE . 1.1 tt0 -46.67 -56.27 6.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.338 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.479 ' CE1' ' CG1' ' A' ' 66' ' ' VAL . 11.3 m80 -40.25 -55.43 2.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.619 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -39.12 -41.84 0.87 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.922 HD12 ' HA ' ' A' ' 70' ' ' GLN . 8.3 mt -64.03 -50.61 76.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.427 ' N ' ' O ' ' A' ' 71' ' ' HIS . 31.6 m-70 -76.12 -1.75 27.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.586 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 71' ' ' HIS . 0.1 OUTLIER 46.44 26.17 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.265 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -123.8 155.66 37.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.517 ' HB3' HD13 ' A' ' 67' ' ' ILE . 1.6 p -127.98 172.88 10.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 108.307 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.406 ' HB ' ' CG1' ' A' ' 66' ' ' VAL . 23.0 m -112.02 117.49 32.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.365 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.455 HG11 HD21 ' A' ' 100' ' ' LEU . 86.3 t -89.8 126.68 42.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -127.53 117.17 21.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.573 HG12 ' CE1' ' A' ' 63' ' ' PHE . 33.6 mt -83.77 145.11 8.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 62' ' ' PRO . 4.9 mmt -111.52 -23.8 10.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.3 OUTLIER -104.27 157.67 16.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 62.13 -171.21 10.3 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.76 HG23 ' HD2' ' A' ' 86' ' ' PRO . 2.5 m -41.06 146.55 0.48 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 0.773 . . . . 0.0 110.41 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.76 ' HD2' HG23 ' A' ' 85' ' ' THR . 18.1 Cg_endo -75.07 89.9 1.13 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.463 1.77 . . . . 0.0 110.933 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -109.63 113.99 27.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -112.92 109.31 18.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.421 ' CE1' ' CD1' ' A' ' 100' ' ' LEU . 40.8 m-70 -95.67 112.25 24.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.605 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -102.09 140.99 35.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.8 t30 54.54 92.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 13.1 mmm -139.58 137.22 18.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 144.75 30.54 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.546 1.814 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.481 ' CG ' HG23 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -39.0 -71.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.322 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -37.46 -62.14 0.54 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.44 -59.52 2.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -48.31 -48.5 35.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.407 ' SD ' ' O ' ' A' ' 94' ' ' GLN . 0.0 OUTLIER -58.42 -27.02 63.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.957 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.432 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.5 OUTLIER -85.55 -46.12 17.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.455 HD21 HG11 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -62.98 -28.58 70.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.478 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.8 OUTLIER -84.03 -48.13 17.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.478 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -63.48 -31.03 72.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.432 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 1.6 mmm180 -74.82 -58.69 3.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -56.69 -52.66 64.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.418 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 26.3 t80 -41.93 -53.49 3.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.58 1.175 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -44.25 -64.14 0.74 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 110.338 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.403 ' HA ' ' CG1' ' A' ' 37' ' ' VAL . 34.5 t . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.419 ' HB2' ' N ' ' A' ' 37' ' ' VAL . 0.6 OUTLIER -103.35 -32.3 9.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.578 ' O ' HG13 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -145.0 97.16 2.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 108.344 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.2 p -81.76 121.77 26.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.467 ' CG1' HG13 ' A' ' 67' ' ' ILE . 62.4 t -87.86 116.65 30.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.626 HG21 ' CD2' ' A' ' 49' ' ' LEU . 2.1 mm -100.16 105.78 18.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -111.15 95.99 4.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.061 HG12 HD12 ' A' ' 43' ' ' LEU . 11.1 m -80.66 66.16 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 167.93 127.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -51.85 -24.93 6.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.437 ' C ' ' N ' ' A' ' 21' ' ' LYS . 2.1 mm-40 -74.07 -165.03 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.348 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.583 HG21 ' O ' ' A' ' 68' ' ' THR . 1.3 p 39.94 29.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.355 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.437 ' N ' ' C ' ' A' ' 19' ' ' GLN . 4.8 tttt -63.75 -59.29 4.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -60.08 -52.61 64.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.252 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -49.74 -57.12 7.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.751 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -58.31 -38.06 76.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.851 ' CG ' HD22 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -66.18 -9.72 34.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 29' ' ' ARG . 4.2 t -91.39 -70.25 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.957 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.611 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -43.2 -29.11 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.782 ' CA ' HG11 ' A' ' 38' ' ' VAL . . . -72.71 -43.35 43.44 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.457 1.098 . . . . 0.0 110.951 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.477 ' CG ' ' N ' ' A' ' 30' ' ' LYS . 4.5 ptm180 -69.85 -40.99 75.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.754 . . . . 0.0 110.341 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.477 ' N ' ' CG ' ' A' ' 29' ' ' ARG . 8.6 mptt -46.01 -42.19 12.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.789 ' HB ' HG21 ' A' ' 38' ' ' VAL . 48.7 t -67.05 -35.53 74.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 29' ' ' ARG . 15.0 mtp180 -64.37 -31.32 72.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -61.81 -21.07 64.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.7 OUTLIER -89.04 -10.7 46.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.26 35.6 5.69 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.674 ' HB2' HG12 ' A' ' 31' ' ' VAL . 80.8 mtp -119.8 135.25 54.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.763 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.419 ' N ' ' HB2' ' A' ' 10' ' ' ASP . 22.3 t -65.49 123.17 17.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.789 HG21 ' HB ' ' A' ' 31' ' ' VAL . 30.7 t -128.84 148.96 33.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -143.96 167.16 23.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.851 HD22 ' CG ' ' A' ' 25' ' ' GLU . 1.5 mp -119.87 129.09 54.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 31.2 mt -118.94 107.92 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.415 ' CZ ' ' HE3' ' A' ' 21' ' ' LYS . 63.8 m-85 -90.41 124.71 35.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 1.061 HD12 HG12 ' A' ' 16' ' ' VAL . 4.6 mt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.091 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.9 t . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.626 ' CD2' HG21 ' A' ' 14' ' ' ILE . 1.0 OUTLIER -60.02 -50.74 72.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 84.1 p -45.28 -47.75 12.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -43.52 -31.41 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.302 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.13 -44.44 15.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.408 ' HG ' ' CD2' ' A' ' 49' ' ' LEU . 93.1 mt -59.94 -39.55 85.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -65.03 -24.47 67.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.266 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 59' ' ' GLY . 12.4 t0 -89.19 -26.02 21.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.63 HG13 ' CB ' ' A' ' 61' ' ' SER . 10.7 t -64.72 -60.8 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.31 -57.89 10.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.006 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.35 -36.51 73.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 55' ' ' ASP . . . -67.27 -32.62 80.26 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 61' ' ' SER . . . 131.46 -45.56 1.12 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.63 ' CB ' HG13 ' A' ' 56' ' ' VAL . 1.6 m -35.65 114.14 0.54 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.757 . . . . 0.0 109.978 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.4 Cg_endo -74.97 -39.62 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.492 1.785 . . . . 0.0 111.018 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.573 ' CE1' HG12 ' A' ' 81' ' ' ILE . 14.4 m-30 -112.44 152.7 28.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.623 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -145.1 132.32 20.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.7 mt -99.27 141.63 16.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.494 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 0.5 OUTLIER -107.13 127.67 62.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.355 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.751 HG21 ' HB2' ' A' ' 24' ' ' ALA . 4.6 mm -126.13 136.47 60.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.583 ' O ' HG21 ' A' ' 20' ' ' THR . 67.4 p -147.71 -148.79 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.424 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -89.55 -62.83 1.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.717 ' HA ' HD12 ' A' ' 73' ' ' ILE . 24.6 tt0 -54.23 -42.9 70.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.246 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.494 ' CE1' ' CG1' ' A' ' 66' ' ' VAL . 6.2 m170 -50.87 -30.58 14.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.586 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -68.31 -47.59 67.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 110.27 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.717 HD12 ' HA ' ' A' ' 70' ' ' GLN . 3.7 mt -60.43 -49.63 83.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.142 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 54.9 m-70 -79.98 -4.88 54.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.664 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 71' ' ' HIS . 0.0 OUTLIER 48.7 28.5 1.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.318 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.476 ' O ' ' CD2' ' A' ' 71' ' ' HIS . 1.1 p -115.3 155.72 26.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.025 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.6 p -132.81 175.42 9.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 108.281 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 24.0 m -114.98 113.97 24.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.372 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.433 HG11 ' CD2' ' A' ' 100' ' ' LEU . 77.0 t -90.01 110.17 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -108.63 129.49 55.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.573 HG12 ' CE1' ' A' ' 63' ' ' PHE . 41.3 mt -95.57 144.39 10.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 62' ' ' PRO . 12.1 mmt -106.85 -27.24 10.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.95 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.493 ' O ' ' CG2' ' A' ' 81' ' ' ILE . 0.4 OUTLIER -104.92 146.34 29.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.0 -170.12 54.52 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.729 HG23 ' HD2' ' A' ' 86' ' ' PRO . 2.7 m -46.67 146.48 2.53 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 0.0 110.373 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.729 ' HD2' HG23 ' A' ' 85' ' ' THR . 18.2 Cg_endo -75.03 95.94 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.526 1.803 . . . . 0.0 110.988 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -111.04 133.86 53.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.34 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -128.91 99.9 5.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.403 ' CD2' HD11 ' A' ' 100' ' ' LEU . 68.6 m-70 -86.45 110.51 19.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.629 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -101.18 132.46 46.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.308 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.4 m120 60.88 93.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.455 ' CE ' ' HB3' ' A' ' 96' ' ' ASP . 12.7 mmm -141.35 134.88 14.6 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 139.53 24.32 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.466 1.771 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.488 ' CG ' HG23 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -38.11 -62.87 0.53 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 110.344 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -38.95 -58.78 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.455 ' HB3' ' CE ' ' A' ' 92' ' ' MET . 0.6 OUTLIER -56.2 -56.55 19.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -46.2 -45.34 16.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.426 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 32.5 mmt -61.86 -29.43 70.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.952 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.486 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.4 OUTLIER -82.73 -44.32 19.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.433 ' CD2' HG11 ' A' ' 79' ' ' VAL . 0.1 OUTLIER -63.83 -28.5 69.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.503 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.7 OUTLIER -86.91 -49.76 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.503 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -60.42 -30.29 69.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.486 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 2.2 mmm180 -78.86 -57.8 3.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -57.74 -51.94 67.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.501 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 18.5 t80 -41.95 -48.29 4.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -48.37 -63.37 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.442 HG12 ' C ' ' A' ' 11' ' ' CYS . 70.5 t . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -42.16 -42.05 2.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.587 ' SG ' HD12 ' A' ' 65' ' ' ILE . 49.4 t -148.69 110.73 4.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 108.3 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.5 m -96.82 133.29 41.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.042 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.462 HG21 ' CA ' ' A' ' 28' ' ' GLY . 61.6 t -88.47 127.35 41.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.574 HG21 ' CD2' ' A' ' 49' ' ' LEU . 2.2 mm -107.83 107.82 23.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -118.08 96.9 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.954 HG12 HD12 ' A' ' 43' ' ' LEU . 12.2 m -78.74 55.76 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -178.94 -171.12 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -122.35 -43.18 2.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.69 -43.1 1.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.45 HG22 ' HG3' ' A' ' 72' ' ' GLN . 2.2 p -89.42 52.68 2.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.39 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.452 ' HE3' ' CZ ' ' A' ' 42' ' ' PHE . 7.0 tttt -89.08 -47.9 7.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.77 -46.12 59.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.494 ' HE1' HD12 ' A' ' 67' ' ' ILE . 16.3 t80 -58.89 -56.88 16.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.08 -42.86 73.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.253 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.851 ' HG2' HD22 ' A' ' 40' ' ' LEU . 3.7 mt-10 -59.82 -14.27 14.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.281 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' ARG . 4.6 t -86.67 -67.38 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.794 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -49.47 -28.67 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.599 ' O ' HG11 ' A' ' 38' ' ' VAL . . . -71.45 -27.44 71.38 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.0 OUTLIER -91.61 -31.26 15.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 110.291 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.85 -40.81 61.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.945 ' HB ' HG21 ' A' ' 38' ' ' VAL . 52.2 t -70.4 -31.47 46.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.409 ' CZ ' ' HA ' ' A' ' 29' ' ' ARG . 87.9 mtm-85 -69.23 -32.57 71.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.297 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -60.05 -17.39 38.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.5 OUTLIER -92.38 -12.68 31.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.86 28.56 8.21 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.667 ' HB2' HG12 ' A' ' 31' ' ' VAL . 90.8 mtp -112.01 135.06 53.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.769 . . . . 0.0 111.018 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.8 t -66.02 123.66 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.945 HG21 ' HB ' ' A' ' 31' ' ' VAL . 96.4 t -135.82 152.39 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -143.98 168.38 20.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.851 HD22 ' HG2' ' A' ' 25' ' ' GLU . 0.9 OUTLIER -114.69 128.46 56.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.498 ' CG2' HD21 ' A' ' 43' ' ' LEU . 10.0 mt -112.72 110.93 34.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.452 ' CZ ' ' HE3' ' A' ' 21' ' ' LYS . 40.2 m-85 -97.16 135.54 38.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 111.03 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.954 HD12 HG12 ' A' ' 16' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.3 t . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.674 ' HB2' HG11 ' A' ' 16' ' ' VAL . 0.5 OUTLIER -53.56 -54.79 32.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.405 1.065 . . . . 0.0 109.271 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 96.3 p -48.34 -44.29 34.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.995 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -48.5 -35.05 12.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.306 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.611 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -79.35 -38.17 35.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.434 ' HG ' ' CD2' ' A' ' 49' ' ' LEU . 47.9 mt -63.01 -42.99 99.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.592 1.182 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -60.2 -31.71 70.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.148 . . . . 0.0 110.345 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.45 ' OD1' ' NE ' ' A' ' 58' ' ' ARG . 8.9 t0 -83.61 -22.68 32.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.772 HG11 ' HB2' ' A' ' 64' ' ' ALA . 12.2 t -69.21 -41.27 81.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.43 -55.97 5.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.036 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.45 ' NE ' ' OD1' ' A' ' 55' ' ' ASP . 16.1 ptt85 -60.45 -36.69 78.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.407 ' N ' ' CG ' ' A' ' 58' ' ' ARG . . . -65.32 -31.96 82.16 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.125 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 121.62 -28.24 6.02 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.669 ' HB3' HG13 ' A' ' 56' ' ' VAL . 1.0 OUTLIER -39.85 113.39 0.89 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.561 0.801 . . . . 0.0 110.018 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.414 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.4 Cg_endo -75.01 -38.26 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.49 1.784 . . . . 0.0 111.048 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.558 ' CD1' HG12 ' A' ' 81' ' ' ILE . 13.8 m-30 -114.99 152.32 32.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 111.064 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.772 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -142.33 123.05 14.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.587 HD12 ' SG ' ' A' ' 11' ' ' CYS . 7.1 mt -95.34 133.33 36.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.243 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.683 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 0.8 OUTLIER -101.32 125.62 55.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.794 HD11 HG11 ' A' ' 27' ' ' VAL . 4.3 mm -125.35 155.38 34.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.713 HG23 ' N ' ' A' ' 69' ' ' GLN . 0.6 OUTLIER -178.9 -170.21 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.391 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.713 ' N ' HG23 ' A' ' 68' ' ' THR . 80.4 mt-30 -57.05 -65.17 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.26 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.437 ' HA ' HD12 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -51.49 -62.23 1.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.287 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.683 ' CE1' ' CG1' ' A' ' 66' ' ' VAL . 38.7 m80 -39.11 -39.03 0.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.612 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.45 ' HG3' HG22 ' A' ' 20' ' ' THR . 1.5 tt0 -60.15 -58.14 9.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.437 HD12 ' HA ' ' A' ' 70' ' ' GLN . 11.0 mt -51.03 -69.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -56.08 -19.9 14.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.618 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 71' ' ' HIS . 0.0 OUTLIER 65.12 25.83 12.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.439 ' OG ' ' HA ' ' A' ' 93' ' ' PRO . 32.5 m -122.69 146.95 47.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.012 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.615 ' HB3' HD13 ' A' ' 67' ' ' ILE . 1.8 p -125.56 175.08 7.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 108.301 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.493 ' CG2' ' HB3' ' A' ' 90' ' ' ARG . 20.3 m -109.89 118.86 37.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.382 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.426 ' N ' ' O ' ' A' ' 89' ' ' HIS . 72.6 t -90.22 113.11 25.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -112.42 128.17 56.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.558 HG12 ' CD1' ' A' ' 63' ' ' PHE . 43.0 mt -94.21 144.35 9.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.649 ' HG3' HG12 ' A' ' 56' ' ' VAL . 13.4 mmt -107.22 -26.83 10.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.983 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.589 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -89.48 149.67 22.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.978 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 58.28 -165.19 7.63 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.75 HG23 ' HD2' ' A' ' 86' ' ' PRO . 2.5 m -44.03 146.49 1.08 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.542 0.789 . . . . 0.0 110.411 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.75 ' HD2' HG23 ' A' ' 85' ' ' THR . 18.1 Cg_endo -75.04 101.87 1.52 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.533 1.807 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -111.32 120.18 41.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -115.56 116.11 27.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.318 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.426 ' O ' ' N ' ' A' ' 79' ' ' VAL . 60.2 m-70 -116.63 109.39 17.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.6 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.493 ' HB3' ' CG2' ' A' ' 78' ' ' THR . 0.0 OUTLIER -117.94 166.59 12.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.338 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 63.96 16.61 10.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 18.3 mmm -82.77 133.66 48.61 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 111.034 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.439 ' HA ' ' OG ' ' A' ' 76' ' ' SER . 18.1 Cg_endo -75.03 145.73 31.7 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.45 1.763 . . . . 0.0 110.973 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.498 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 0.1 OUTLIER -37.29 -71.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 98' ' ' MET . . . -37.68 -71.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -40.8 -48.79 3.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 94' ' ' GLN . . . -56.63 -46.25 81.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -62.06 -23.44 66.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -86.24 -48.37 15.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.433 ' N ' HG12 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -59.97 -28.03 67.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.494 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.8 OUTLIER -85.37 -49.63 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.494 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -56.29 -27.91 56.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 104' ' ' ASN . 9.6 mmm-85 -85.28 -72.48 0.48 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 110.301 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 103' ' ' ARG . 7.7 m-80 -39.11 -46.97 1.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.481 ' CE2' ' HG2' ' A' ' 36' ' ' MET . 2.8 t80 -46.81 -60.25 2.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.974 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -56.23 -39.52 72.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 179.953 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 73.4 t . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -72.0 -45.54 60.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 109.334 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.67 ' O ' HG13 ' A' ' 38' ' ' VAL . 7.4 t -149.0 104.88 3.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 108.321 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.7 m -86.55 139.99 30.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.034 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.451 ' CG1' HG13 ' A' ' 67' ' ' ILE . 87.6 t -99.64 120.6 49.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.744 HG21 HD23 ' A' ' 49' ' ' LEU . 2.7 mm -99.18 117.37 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -123.59 103.25 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.237 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.043 HG12 HD12 ' A' ' 43' ' ' LEU . 28.6 m -86.69 60.56 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 16' ' ' VAL . 2.5 m-80 172.67 -178.75 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.53 -42.86 3.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -45.0 -45.11 10.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.282 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.469 ' CG2' ' HB2' ' A' ' 72' ' ' GLN . 1.3 p -86.16 49.46 1.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.16 . . . . 0.0 110.347 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -86.9 -54.98 4.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -64.84 -50.96 64.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -51.8 -57.27 9.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.875 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -58.72 -39.09 79.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.9 ' CG ' HD22 ' A' ' 40' ' ' LEU . 2.5 mt-10 -62.01 -13.12 22.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 29' ' ' ARG . 5.7 t -89.01 -66.51 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.99 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.781 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -43.16 -30.76 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.158 . . . . 0.0 109.302 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.704 ' HA2' HG11 ' A' ' 38' ' ' VAL . . . -67.92 -43.24 83.48 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.138 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.505 ' CG ' ' N ' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -68.84 -42.35 77.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 0.0 110.354 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.505 ' N ' ' CG ' ' A' ' 29' ' ' ARG . 0.2 OUTLIER -46.48 -42.43 15.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.972 ' HB ' HG21 ' A' ' 38' ' ' VAL . 51.2 t -69.12 -34.53 63.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 29' ' ' ARG . 7.4 mtm180 -68.67 -31.82 71.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -60.67 -17.54 48.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.7 OUTLIER -92.16 -11.46 35.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.81 28.72 8.61 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.464 1.102 . . . . 0.0 111.022 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.574 ' HB2' HG12 ' A' ' 31' ' ' VAL . 90.0 mtp -113.45 132.19 55.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.53 123.47 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.972 HG21 ' HB ' ' A' ' 31' ' ' VAL . 73.8 t -133.31 149.2 31.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.137 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -140.83 168.61 19.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.9 HD22 ' CG ' ' A' ' 25' ' ' GLU . 0.9 OUTLIER -116.73 127.91 54.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.8 mt -114.0 110.4 31.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.339 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -96.83 133.55 41.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 1.043 HD12 HG12 ' A' ' 16' ' ' VAL . 1.3 mt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.744 HD23 HG21 ' A' ' 14' ' ' ILE . 0.5 OUTLIER -58.8 -59.36 5.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 53' ' ' LEU . 83.1 p -44.96 -56.98 4.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.023 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -40.82 -32.15 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.759 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -88.35 -41.3 12.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 50' ' ' SER . 57.9 mt -58.18 -48.37 80.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -56.97 -30.08 63.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.272 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.406 ' HA ' ' CD ' ' A' ' 58' ' ' ARG . 54.9 t0 -82.51 -32.27 28.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 52' ' ' ALA . 75.0 t -58.13 -59.13 3.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 60' ' ' GLY . 0.0 OUTLIER -59.0 -63.37 1.33 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.415 1.072 . . . . 0.0 109.99 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.409 ' CG ' ' N ' ' A' ' 59' ' ' GLY . 19.1 ptt180 -48.41 -36.0 13.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.409 ' N ' ' CG ' ' A' ' 58' ' ' ARG . . . -69.66 -25.94 74.99 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.133 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 57' ' ' SER . . . 113.59 -24.8 11.72 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.602 ' CB ' HG13 ' A' ' 56' ' ' VAL . 2.7 m -39.65 115.42 1.04 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.54 0.788 . . . . 0.0 110.007 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -44.68 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.779 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.454 ' CE1' HG12 ' A' ' 81' ' ' ILE . 11.7 m-30 -115.5 147.21 40.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.676 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -139.37 126.84 21.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.0 mt -94.75 137.22 23.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.475 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 0.5 OUTLIER -102.39 128.65 54.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.581 1.176 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.875 HG21 ' HB2' ' A' ' 24' ' ' ALA . 4.1 mm -126.66 146.04 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.498 HG22 ' ND1' ' A' ' 71' ' ' HIS . 4.6 t -172.29 154.94 3.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.414 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -41.02 -63.81 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.279 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.682 ' HA ' HD12 ' A' ' 73' ' ' ILE . 4.9 tp60 -42.44 -49.11 5.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.32 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.498 ' ND1' HG22 ' A' ' 68' ' ' THR . 6.9 m170 -57.17 -54.44 46.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.635 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.469 ' HB2' ' CG2' ' A' ' 20' ' ' THR . 0.8 OUTLIER -38.67 -40.74 0.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.266 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.682 HD12 ' HA ' ' A' ' 70' ' ' GLN . 7.6 mt -63.62 -52.21 60.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.43 ' N ' ' O ' ' A' ' 71' ' ' HIS . 64.6 m-70 -75.83 -2.15 28.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.611 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 71' ' ' HIS . 0.0 OUTLIER 48.05 26.98 1.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.2 p -124.32 156.08 37.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.7 p -128.08 175.54 8.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 108.294 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 89' ' ' HIS . 93.5 m -116.92 120.23 37.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.414 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.502 HG11 HD21 ' A' ' 100' ' ' LEU . 61.6 t -90.71 116.27 31.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.2 116.23 29.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.454 HG12 ' CE1' ' A' ' 63' ' ' PHE . 27.2 mt -83.93 146.12 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 7.2 mmt -114.93 -27.68 7.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.593 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -91.16 150.09 21.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 53.66 -154.18 7.7 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.489 1.118 . . . . 0.0 110.963 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.411 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 3.1 m -49.93 129.27 21.74 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.515 0.774 . . . . 0.0 110.405 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 85' ' ' THR . 18.3 Cg_endo -75.03 97.85 1.11 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.503 1.791 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -109.45 115.05 29.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -108.05 97.63 7.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.438 1.086 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.53 ' O ' HG23 ' A' ' 78' ' ' THR . 21.8 m-70 -81.64 115.47 20.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.574 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.0 mtp85 -102.25 135.32 44.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.292 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 30.4 m-20 63.47 87.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 19.9 mmm -139.0 130.97 15.41 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 94' ' ' GLN . 18.2 Cg_endo -75.0 143.12 28.68 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.511 1.795 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -38.35 -64.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 110.285 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -38.24 -63.99 0.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -53.95 -49.78 67.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -50.49 -44.13 55.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.43 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 29.9 mmt -63.97 -27.67 69.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -83.05 -44.91 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.502 HD21 HG11 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -63.27 -28.08 69.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.504 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.8 OUTLIER -87.65 -49.6 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.504 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -58.51 -37.09 74.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 9.9 mmm-85 -71.74 -69.17 0.4 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 110.251 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -44.51 -57.84 3.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.549 ' CD2' ' SD ' ' A' ' 36' ' ' MET . 2.9 t80 -40.54 -53.58 2.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -49.6 -70.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.253 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 10' ' ' ASP . 51.5 t . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 9' ' ' VAL . 0.4 OUTLIER -40.7 -48.16 2.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.352 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.679 ' O ' HG13 ' A' ' 38' ' ' VAL . 25.4 t -148.89 104.83 3.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 108.314 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.83 145.47 24.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.0 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.582 HG21 ' CA ' ' A' ' 28' ' ' GLY . 95.3 t -97.74 129.7 47.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.758 HG21 ' CD2' ' A' ' 49' ' ' LEU . 2.8 mm -109.21 103.62 15.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.594 HG23 ' OG1' ' A' ' 20' ' ' THR . 1.4 p -112.69 97.07 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.314 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.81 HG12 HD12 ' A' ' 43' ' ' LEU . 13.0 m -72.79 -44.05 59.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.449 ' ND2' ' NE2' ' A' ' 69' ' ' GLN . 8.5 m120 -65.83 130.09 42.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -86.42 49.35 1.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 21' ' ' LYS . 0.6 OUTLIER -138.85 -47.39 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.764 HG21 ' O ' ' A' ' 68' ' ' THR . 41.5 p -69.71 59.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.422 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.471 ' HE3' ' CZ ' ' A' ' 42' ' ' PHE . 3.3 tttt -88.76 -34.89 16.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -90.33 -24.83 20.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.583 ' CE2' ' HA ' ' A' ' 72' ' ' GLN . 11.2 t80 -79.88 -53.21 6.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 111.044 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.403 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -60.98 -38.99 87.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.854 ' HG2' HD22 ' A' ' 40' ' ' LEU . 4.1 mt-10 -60.36 -13.99 16.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 29' ' ' ARG . 3.7 t -87.1 -69.37 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.045 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.58 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -49.59 -28.52 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.582 ' CA ' HG21 ' A' ' 13' ' ' VAL . . . -70.87 -28.48 70.59 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -91.42 -32.99 15.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 0.781 . . . . 0.0 110.287 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -49.49 -41.13 39.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.941 ' HB ' HG21 ' A' ' 38' ' ' VAL . 55.6 t -69.52 -35.08 64.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -65.44 -31.81 73.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -61.14 -18.81 60.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.488 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.5 OUTLIER -91.06 -11.65 38.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.74 28.84 8.56 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.451 1.095 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.661 ' HB2' HG12 ' A' ' 31' ' ' VAL . 95.4 mtp -112.65 134.21 54.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.784 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 45.2 t -65.66 123.1 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.941 HG21 ' HB ' ' A' ' 31' ' ' VAL . 80.2 t -135.31 150.66 29.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -141.68 167.67 21.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.854 HD22 ' HG2' ' A' ' 25' ' ' GLU . 1.1 mp -113.43 128.55 56.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.8 mt -115.3 104.7 17.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.471 ' CZ ' ' HE3' ' A' ' 21' ' ' LYS . 49.9 m-85 -91.27 125.23 35.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.81 HD12 HG12 ' A' ' 16' ' ' VAL . 1.5 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.758 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.9 OUTLIER -63.64 -58.04 8.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 53' ' ' LEU . 66.4 p -41.5 -55.0 2.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.965 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 50' ' ' SER . 0.8 OUTLIER -38.57 -37.97 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 110.263 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.779 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -81.45 -44.6 17.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.137 . . . . 0.0 109.305 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 50' ' ' SER . 67.2 mt -57.27 -39.92 76.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.143 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -61.81 -32.44 72.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.287 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -84.6 -29.39 25.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 52' ' ' ALA . 79.5 t -60.39 -51.21 75.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 109.251 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 60' ' ' GLY . 0.3 OUTLIER -63.8 -64.07 0.99 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.155 . . . . 0.0 110.023 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.414 ' CG ' ' N ' ' A' ' 59' ' ' GLY . 2.5 ptm180 -48.17 -36.38 13.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.414 ' N ' ' CG ' ' A' ' 58' ' ' ARG . . . -67.1 -28.74 73.85 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 57' ' ' SER . . . 119.34 -28.29 6.61 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.6 ' CB ' HG13 ' A' ' 56' ' ' VAL . 0.4 OUTLIER -40.51 111.7 0.8 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 109.997 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.421 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.2 Cg_endo -75.01 -41.28 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.509 1.794 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.506 ' CD1' HG12 ' A' ' 81' ' ' ILE . 14.8 m-30 -112.9 147.25 37.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.676 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -141.55 124.75 16.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.474 HG23 ' HB2' ' A' ' 77' ' ' CYS . 30.1 mt -95.09 138.44 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.669 HG22 HD11 ' A' ' 49' ' ' LEU . 0.5 OUTLIER -102.97 130.92 52.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.58 HD11 HG11 ' A' ' 27' ' ' VAL . 3.4 mm -129.52 141.27 46.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.764 ' O ' HG21 ' A' ' 20' ' ' THR . 44.8 p -149.62 -147.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.377 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.449 ' NE2' ' ND2' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -90.03 -56.83 3.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -59.5 -46.64 88.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.444 ' CE1' ' CG1' ' A' ' 66' ' ' VAL . 29.7 m170 -49.38 -32.09 10.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.569 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.583 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 4.5 tt0 -66.88 -46.15 75.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.278 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.4 mt -68.25 -50.49 57.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -70.97 -15.16 62.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.583 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 71' ' ' HIS . 2.4 mmm180 59.23 25.48 14.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.337 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.422 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 1.1 p -120.53 143.26 48.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.023 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.474 ' HB2' HG23 ' A' ' 65' ' ' ILE . 1.7 p -122.61 175.54 6.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 108.323 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.584 HG23 ' O ' ' A' ' 89' ' ' HIS . 50.7 m -115.44 115.03 25.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 86.6 t -90.37 118.61 35.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -117.16 121.08 40.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.506 HG12 ' CD1' ' A' ' 63' ' ' PHE . 39.3 mt -86.45 144.47 9.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 62' ' ' PRO . 11.0 mmt -106.26 -27.14 11.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.549 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -102.02 151.14 22.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.953 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.62 -175.83 36.66 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 110.972 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.722 HG23 ' HD2' ' A' ' 86' ' ' PRO . 2.6 m -41.11 146.44 0.5 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.542 0.79 . . . . 0.0 110.45 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.722 ' HD2' HG23 ' A' ' 85' ' ' THR . 18.4 Cg_endo -74.99 101.14 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.513 1.796 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -115.46 120.65 40.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -114.02 109.0 17.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.584 ' O ' HG23 ' A' ' 78' ' ' THR . 82.8 m-70 -95.64 111.81 23.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.591 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -100.65 139.18 36.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.282 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 51.34 96.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.465 ' CE ' ' HB3' ' A' ' 96' ' ' ASP . 14.3 mmm -140.92 133.34 14.24 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 92' ' ' MET . 18.4 Cg_endo -74.98 140.6 25.69 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.472 1.775 . . . . 0.0 111.025 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.3 OUTLIER -37.08 -66.37 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -37.29 -57.08 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.465 ' HB3' ' CE ' ' A' ' 92' ' ' MET . 0.4 OUTLIER -54.22 -60.65 3.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -44.87 -47.5 11.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.451 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 31.3 mmt -58.57 -32.59 69.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 111.038 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 96' ' ' ASP . 0.4 OUTLIER -81.5 -43.36 20.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.431 ' O ' ' ND2' ' A' ' 104' ' ' ASN . 0.1 OUTLIER -65.18 -29.49 70.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.493 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.7 OUTLIER -85.97 -49.06 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.493 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -60.74 -35.85 77.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.427 ' NH1' ' HB3' ' A' ' 103' ' ' ARG . 1.4 mmm180 -72.85 -62.13 1.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 110.329 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 100' ' ' LEU . 3.8 m-80 -51.58 -54.09 31.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.46 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 8.8 t80 -40.55 -54.14 2.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -44.96 -56.94 4.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.6 t . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -41.32 -41.17 1.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.495 ' O ' HG13 ' A' ' 38' ' ' VAL . 7.8 t -148.94 111.46 4.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 108.302 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.7 m -96.76 134.03 40.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 109.999 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.5 t -91.74 122.46 43.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.717 HG21 ' CD2' ' A' ' 49' ' ' LEU . 2.0 mm -104.68 99.58 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -110.75 99.59 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.95 HG12 HD12 ' A' ' 43' ' ' LEU . 10.7 m -79.72 61.23 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 173.44 176.27 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 109.306 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -113.72 -34.49 5.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.424 ' NE2' ' O ' ' A' ' 19' ' ' GLN . 0.1 OUTLIER -49.36 -48.34 46.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 110.32 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.39 55.16 3.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.388 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.511 ' O ' ' CG ' ' A' ' 25' ' ' GLU . 3.3 tttt -88.57 -69.14 0.72 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -47.84 -43.84 28.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.641 ' HE2' HG23 ' A' ' 67' ' ' ILE . 36.5 t80 -58.87 -65.79 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.142 . . . . 0.0 111.029 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.96 -40.69 44.69 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.56 1.162 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 4.2 mm-40 -54.5 -27.77 40.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 0.0 110.265 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 29' ' ' ARG . 6.1 t -77.05 -65.06 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.996 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.734 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -49.18 -29.22 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.575 ' O ' HG11 ' A' ' 38' ' ' VAL . . . -77.6 -27.81 58.46 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -91.74 -27.81 17.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 0.737 . . . . 0.0 110.283 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.8 mmtt -59.6 -36.72 76.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.963 ' HB ' HG21 ' A' ' 38' ' ' VAL . 74.2 t -72.09 -28.59 30.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -72.23 -32.12 66.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -59.95 -19.78 53.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.7 OUTLIER -89.12 -11.2 44.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.46 21.66 23.85 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.545 1.153 . . . . 0.0 111.025 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.418 ' CE ' HG22 ' A' ' 101' ' ' VAL . 91.5 mtp -105.1 136.05 45.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 0.762 . . . . 0.0 111.044 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.2 t -66.51 123.01 18.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.963 HG21 ' HB ' ' A' ' 31' ' ' VAL . 97.4 t -132.66 148.86 31.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -135.91 168.32 19.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.283 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.504 HD21 ' HG2' ' A' ' 25' ' ' GLU . 0.3 OUTLIER -121.42 123.93 43.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.7 mt -111.97 114.09 46.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.426 ' CE2' HD23 ' A' ' 40' ' ' LEU . 37.5 m-85 -99.43 125.99 45.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 111.052 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.95 HD12 HG12 ' A' ' 16' ' ' VAL . 1.5 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.251 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.0 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.717 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.5 OUTLIER -70.01 -59.3 2.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 95.4 p -43.09 -45.31 5.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 109.955 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -47.44 -36.29 9.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.286 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.752 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -78.68 -40.89 32.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.2 mt -60.92 -32.19 71.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -69.36 -30.57 68.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 110.325 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -83.36 -24.63 31.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.77 HG11 ' HB2' ' A' ' 64' ' ' ALA . 69.5 t -65.93 -51.08 65.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.83 -61.4 2.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.006 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.414 ' HG2' ' N ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER -54.99 -36.53 65.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.414 ' N ' ' HG2' ' A' ' 58' ' ' ARG . . . -66.88 -29.65 74.97 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.63 -29.03 6.23 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.752 ' CB ' HG13 ' A' ' 56' ' ' VAL . 0.9 OUTLIER -39.03 115.27 0.92 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.482 0.754 . . . . 0.0 110.004 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.421 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.4 Cg_endo -74.93 -40.92 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.524 1.802 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.522 ' CD1' HG12 ' A' ' 81' ' ' ILE . 11.4 m-30 -116.65 153.43 32.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.77 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -142.91 123.35 13.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 15.5 mt -94.82 132.94 37.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.531 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 0.8 OUTLIER -101.38 132.66 46.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.734 HD11 HG11 ' A' ' 27' ' ' VAL . 4.4 mm -126.32 154.82 36.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.439 HG22 ' CG ' ' A' ' 71' ' ' HIS . 3.7 t -175.13 162.86 3.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.397 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.1 -64.77 0.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 73' ' ' ILE . 1.1 tp60 -51.09 -58.57 5.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.531 ' CE1' ' CG1' ' A' ' 66' ' ' VAL . 16.0 m170 -42.65 -31.1 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.649 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -71.37 -46.32 60.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 70' ' ' GLN . 14.7 mt -63.06 -40.18 88.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -89.08 -4.86 58.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.599 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 71' ' ' HIS . 5.8 mtp180 49.87 29.86 3.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.501 ' O ' ' CD2' ' A' ' 71' ' ' HIS . 1.1 p -122.55 143.3 49.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.04 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.479 ' HB3' HD13 ' A' ' 67' ' ' ILE . 1.8 p -124.62 174.2 8.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.128 . . . . 0.0 108.294 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.819 HG23 ' O ' ' A' ' 89' ' ' HIS . 40.1 m -112.45 112.66 24.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.421 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 92.0 t -90.37 114.08 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.359 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -112.65 126.69 55.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.522 HG12 ' CD1' ' A' ' 63' ' ' PHE . 22.3 mt -88.54 145.77 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 62' ' ' PRO . 7.0 mmt -112.78 -27.88 7.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.591 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -94.97 151.72 18.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.982 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 52.61 -159.56 3.14 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.2 m -45.76 119.23 4.59 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 0.0 110.396 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 105.18 2.03 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.499 1.789 . . . . 0.0 110.998 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -110.77 120.34 42.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -97.33 104.32 16.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.568 1.168 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.819 ' O ' HG23 ' A' ' 78' ' ' THR . 84.9 m-70 -90.98 111.14 22.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.628 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -99.02 131.17 45.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 110.256 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 54.48 100.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.412 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 14.7 mmm -138.43 137.35 20.29 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 92' ' ' MET . 18.3 Cg_endo -74.96 139.53 24.51 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.543 1.812 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.545 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 0.0 OUTLIER -38.32 -68.71 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.266 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 98' ' ' MET . . . -38.39 -68.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.401 ' O ' HG12 ' A' ' 99' ' ' VAL . 68.4 t0 -47.39 -41.69 20.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 94' ' ' GLN . . . -60.56 -35.46 76.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 95' ' ' ALA . 31.6 mmt -73.72 -31.79 63.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.501 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.4 OUTLIER -79.79 -40.19 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.99 -32.76 74.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.7 OUTLIER -83.48 -48.12 17.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.475 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -61.07 -32.21 71.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.501 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 7.3 mmm-85 -75.54 -69.09 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 110.249 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -44.89 -49.83 10.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.44 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 17.4 t80 -43.36 -55.63 3.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -44.4 -55.66 4.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.35 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -161.48 -58.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 109.987 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 m -147.68 -58.62 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.955 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.73 97.54 0.67 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.477 1.11 . . . . 0.0 110.963 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.73 -57.35 3.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 0.735 . . . . 0.0 109.994 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.5 -56.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 109.988 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.16 -163.88 30.63 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.527 1.142 . . . . 0.0 111.052 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 138.5 23.08 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.498 1.789 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.6 t -101.53 114.31 40.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -44.11 -44.96 7.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.152 . . . . 0.0 109.363 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.704 ' O ' HG13 ' A' ' 38' ' ' VAL . 49.7 t -146.37 101.64 3.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 108.301 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.81 137.84 31.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.178 . . . . 0.0 110.022 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 73.3 t -97.65 126.67 50.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.702 HG21 ' CD2' ' A' ' 49' ' ' LEU . 3.9 mm -103.29 116.69 47.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -132.07 99.91 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.515 HG12 HD12 ' A' ' 43' ' ' LEU . 13.3 m -69.96 -43.85 79.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.355 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.518 ' O ' HG22 ' A' ' 15' ' ' VAL . 0.6 OUTLIER -76.86 169.46 18.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -104.07 -45.17 4.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.12 -39.09 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.7 p -85.35 49.25 1.72 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.439 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -86.83 -40.66 14.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -81.17 -54.44 5.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.517 ' CE2' ' HA ' ' A' ' 72' ' ' GLN . 2.3 t80 -48.95 -42.58 37.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.597 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -74.54 -33.27 62.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -14.4 17.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.32 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 29' ' ' ARG . 8.9 t -91.37 -67.28 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.96 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.725 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -39.38 -34.19 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.698 ' HA2' HG11 ' A' ' 38' ' ' VAL . . . -72.52 -48.83 21.73 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.551 1.157 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.3 ptt180 -67.01 -29.79 69.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 0.742 . . . . 0.0 110.34 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -58.88 -43.85 91.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.344 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.964 ' HB ' HG21 ' A' ' 38' ' ' VAL . 99.5 t -68.51 -25.54 31.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -75.08 -32.3 61.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -61.59 -18.1 57.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.499 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.8 OUTLIER -89.98 -12.5 38.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.35 26.47 10.06 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.607 ' HE1' HG22 ' A' ' 101' ' ' VAL . 74.6 mtp -112.05 133.46 54.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 0.726 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 49.2 t -65.76 126.44 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.964 HG21 ' HB ' ' A' ' 31' ' ' VAL . 84.2 t -134.85 148.5 29.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -137.1 168.34 19.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.03 126.29 51.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.45 ' O ' HG13 ' A' ' 15' ' ' VAL . 21.2 mt -109.89 112.07 38.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -99.47 124.19 44.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.539 HD22 ' CG2' ' A' ' 47' ' ' VAL . 0.7 OUTLIER -118.56 59.57 0.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -64.29 92.25 0.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.522 HG22 ' O ' ' A' ' 45' ' ' THR . 54.9 m 52.61 42.63 31.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 110.385 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.677 ' O ' HG22 ' A' ' 47' ' ' VAL . 0.5 OUTLIER -139.57 133.02 30.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.677 HG22 ' O ' ' A' ' 46' ' ' GLU . 7.7 m 48.66 -156.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.417 ' N ' HG23 ' A' ' 47' ' ' VAL . 42.8 m -137.08 -179.29 5.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.974 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.702 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.8 OUTLIER -62.09 -58.84 6.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 53' ' ' LEU . 0.7 OUTLIER -42.19 -55.05 3.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.996 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -41.66 -36.97 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.334 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.705 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -80.79 -41.18 23.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 50' ' ' SER . 80.0 mt -59.09 -38.22 78.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -64.43 -40.03 94.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 0.0 110.257 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.466 ' HA ' ' CD ' ' A' ' 58' ' ' ARG . 14.7 t0 -76.3 -25.48 54.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.728 HG11 ' HB2' ' A' ' 64' ' ' ALA . 19.0 t -62.45 -53.39 47.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.087 . . . . 0.0 109.245 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.48 -61.94 1.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.003 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.466 ' CD ' ' HA ' ' A' ' 55' ' ' ASP . 0.2 OUTLIER -49.94 -34.09 19.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.318 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -71.28 -30.29 67.36 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 120.9 -27.89 6.32 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.637 ' HB3' HG13 ' A' ' 56' ' ' VAL . 0.5 OUTLIER -41.33 108.99 0.61 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 110.02 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.1 Cg_endo -75.03 -37.04 2.19 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.478 1.778 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.567 ' CD1' HG12 ' A' ' 81' ' ' ILE . 10.7 m-30 -116.58 135.93 53.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.728 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -129.09 123.47 32.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.432 HG23 ' HB2' ' A' ' 77' ' ' CYS . 11.1 mt -95.1 137.86 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.638 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 0.5 OUTLIER -104.81 130.15 56.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.725 HD11 HG11 ' A' ' 27' ' ' VAL . 3.8 mm -127.01 151.31 33.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.583 1.177 . . . . 0.0 109.289 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 69' ' ' GLN . 1.6 t -175.83 161.63 2.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 110.39 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.43 ' O ' ' CB ' ' A' ' 72' ' ' GLN . 1.4 mt-30 -38.51 -65.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.523 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.3 mt-30 -47.68 -60.8 2.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 110.339 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.638 ' CE1' ' CG1' ' A' ' 66' ' ' VAL . 18.7 m170 -43.06 -31.72 0.58 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.613 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.517 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 3.0 tt0 -63.63 -48.77 75.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.523 HD12 ' HA ' ' A' ' 70' ' ' GLN . 5.9 mt -60.68 -66.38 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.25 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -57.85 -22.52 48.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.634 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 71' ' ' HIS . 2.8 mtp180 63.39 42.26 6.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.553 ' O ' ' CD2' ' A' ' 71' ' ' HIS . 17.2 p -137.56 143.42 41.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.959 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.432 ' HB2' HG23 ' A' ' 65' ' ' ILE . 1.9 p -118.88 174.97 5.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.08 . . . . 0.0 108.328 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 89' ' ' HIS . 31.7 m -114.91 112.45 22.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.437 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 99.3 t -89.89 110.62 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -112.71 114.2 26.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.567 HG12 ' CD1' ' A' ' 63' ' ' PHE . 27.5 mt -75.72 149.65 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 62' ' ' PRO . 13.8 mmt -113.54 -21.16 10.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -106.73 151.89 24.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 111.02 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 67.0 -172.96 28.73 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.456 1.098 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.754 HG23 ' HD2' ' A' ' 86' ' ' PRO . 2.5 m -38.77 146.51 0.31 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.489 0.758 . . . . 0.0 110.366 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.754 ' HD2' HG23 ' A' ' 85' ' ' THR . 18.3 Cg_endo -75.05 92.6 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.486 1.782 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -108.17 114.74 28.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -112.01 105.25 13.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.584 ' CE1' ' CD1' ' A' ' 100' ' ' LEU . 59.5 m-70 -88.95 111.34 21.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.591 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.1 mtm105 -102.92 132.04 49.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.28 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 58.87 94.46 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.407 1.067 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.466 ' CE ' ' HB3' ' A' ' 96' ' ' ASP . 12.6 mmm -141.49 134.9 14.47 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 140.05 25.1 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.473 1.775 . . . . 0.0 111.027 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -38.16 -62.96 0.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -39.9 -55.06 2.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.466 ' HB3' ' CE ' ' A' ' 92' ' ' MET . 0.2 OUTLIER -57.78 -59.03 5.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 109.274 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -45.48 -46.23 13.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.256 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.437 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 34.9 mmt -59.2 -31.26 68.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 111.037 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 96' ' ' ASP . 0.4 OUTLIER -82.5 -44.16 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.421 1.075 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.584 ' CD1' ' CE1' ' A' ' 89' ' ' HIS . 0.0 OUTLIER -64.35 -27.83 69.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.607 HG22 ' HE1' ' A' ' 36' ' ' MET . 0.6 OUTLIER -87.71 -47.53 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.267 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.465 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -63.28 -33.08 74.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.438 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 6.8 mmm180 -75.16 -62.02 1.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -50.57 -55.95 13.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.506 ' CE1' ' HD3' ' A' ' 109' ' ' LYS . 21.9 t80 -38.72 -56.57 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -43.75 -55.55 4.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 110' ' ' ASN . 2.1 ttt180 -64.27 -55.34 22.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -41.3 -43.92 2.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.506 ' HD3' ' CE1' ' A' ' 105' ' ' TYR . 0.3 OUTLIER -63.23 -46.11 88.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 107' ' ' ARG . 19.3 m-20 -49.86 -32.88 15.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -93.3 -23.85 18.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 20.5 t -68.19 -70.39 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 108.293 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.01 -60.68 0.99 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 71.24 -62.22 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.275 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -174.82 166.41 3.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.257 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.26 97.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.261 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 58.44 110.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.33 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -45.09 169.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.259 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -50.84 -37.93 46.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 3.5 mt -50.26 126.57 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -124.81 55.51 1.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -172.58 128.84 0.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.251 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -101.59 -58.91 1.79 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . 43.28 66.28 0.82 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 56.7 m 58.87 113.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.03 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -97.16 -162.23 31.85 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 111.044 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 168.98 23.63 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.474 1.776 . . . . 0.0 110.945 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.1 m 51.25 98.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.959 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.86 -57.52 0.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.0 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.455 1.097 . . . . 0.0 111.01 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -112.43 135.62 52.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 0.737 . . . . 0.0 109.965 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.7 -58.6 2.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.016 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.27 129.14 5.41 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -168.58 91.94 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 0.742 . . . . 0.0 109.992 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m -129.55 -56.86 1.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.007 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.16 176.66 32.49 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.441 1.088 . . . . 0.0 111.013 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 158.04 42.47 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.529 1.805 . . . . 0.0 110.996 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.3 t -138.62 122.77 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.6 -45.94 27.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.509 ' O ' HG13 ' A' ' 38' ' ' VAL . 14.0 t -148.97 108.19 3.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 108.292 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.49 126.71 36.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.0 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 90.4 t -87.49 129.0 39.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.745 HG21 ' CD2' ' A' ' 49' ' ' LEU . 2.8 mm -106.18 107.62 23.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -120.42 104.26 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.975 HG12 HD12 ' A' ' 43' ' ' LEU . 35.6 m -80.68 -31.07 12.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -79.64 135.49 36.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.415 ' CD ' ' HB3' ' A' ' 44' ' ' ASN . 1.6 tptt -92.44 21.02 5.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.82 -35.82 5.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.339 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.453 HG21 ' O ' ' A' ' 68' ' ' THR . 2.3 p -83.66 51.59 2.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.432 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.518 ' HE3' ' CZ ' ' A' ' 42' ' ' PHE . 11.3 tttt -84.34 -47.36 10.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -70.47 -22.73 62.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -86.37 -60.81 1.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.97 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.807 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -50.68 -43.03 57.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.809 ' HG2' HD22 ' A' ' 40' ' ' LEU . 33.2 mt-10 -59.14 -15.8 16.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 29' ' ' ARG . 5.8 t -84.86 -69.58 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.013 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.663 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -40.33 -31.14 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.709 ' HA2' HG11 ' A' ' 38' ' ' VAL . . . -74.01 -47.98 17.25 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 26' ' ' SER . 0.7 OUTLIER -65.87 -26.75 67.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.6 0.824 . . . . 0.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.0 mmtt -64.77 -39.73 94.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.96 ' HB ' HG21 ' A' ' 38' ' ' VAL . 71.9 t -72.75 -28.81 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -72.5 -31.93 65.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -60.24 -18.13 46.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.7 OUTLIER -90.73 -11.54 39.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.79 23.8 14.77 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.529 1.143 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.501 ' HB2' HG12 ' A' ' 31' ' ' VAL . 93.8 mtp -106.96 134.5 50.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 0.784 . . . . 0.0 111.03 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 51.2 t -67.07 122.12 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.96 HG21 ' HB ' ' A' ' 31' ' ' VAL . 60.2 t -130.77 150.33 34.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -139.6 168.21 20.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.809 HD22 ' HG2' ' A' ' 25' ' ' GLU . 1.2 mp -119.99 128.32 53.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.6 mt -112.58 105.81 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.518 ' CZ ' ' HE3' ' A' ' 21' ' ' LYS . 46.4 m-85 -92.66 126.94 37.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.975 HD12 HG12 ' A' ' 16' ' ' VAL . 2.9 mt -120.4 69.93 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.415 ' HB3' ' CD ' ' A' ' 18' ' ' LYS . 14.8 p-10 -94.6 89.39 5.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.601 HG22 ' O ' ' A' ' 45' ' ' THR . 16.6 m 58.47 50.97 8.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.403 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -129.56 -66.49 0.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.328 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.581 ' CG2' HD22 ' A' ' 43' ' ' LEU . 30.7 m -139.17 -178.62 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.138 . . . . 0.0 109.296 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.1 m -97.0 171.53 8.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.999 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.745 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.6 OUTLIER -56.49 -61.67 2.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.4 p -43.0 -50.87 5.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -42.83 -32.93 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.985 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -87.36 -42.17 13.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.441 ' HG ' HD22 ' A' ' 49' ' ' LEU . 48.3 mt -57.47 -32.73 67.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -66.5 -54.37 24.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 110.304 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.449 ' HA ' ' CD ' ' A' ' 58' ' ' ARG . 25.6 t0 -64.32 -27.16 68.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 109.286 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.985 HG23 ' O ' ' A' ' 52' ' ' ALA . 46.6 t -59.5 -65.24 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -61.6 2.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.072 . . . . 0.0 109.996 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.449 ' CD ' ' HA ' ' A' ' 55' ' ' ASP . 3.8 ptm180 -49.59 -36.59 24.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 55' ' ' ASP . . . -67.82 -24.85 74.28 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 115.48 -23.01 11.47 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.517 ' CB ' HG13 ' A' ' 56' ' ' VAL . 5.7 m -42.32 112.61 1.12 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.776 . . . . 0.0 110.036 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.422 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.3 Cg_endo -74.98 -44.21 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.48 1.779 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.562 ' CD1' HG12 ' A' ' 81' ' ' ILE . 10.7 m-30 -113.63 144.71 42.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.545 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -138.46 123.11 18.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.245 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.546 HG23 ' HB2' ' A' ' 77' ' ' CYS . 10.6 mt -94.91 141.15 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.43 ' CG1' ' HB ' ' A' ' 78' ' ' THR . 0.5 OUTLIER -104.41 126.95 59.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.807 HG21 ' HB2' ' A' ' 24' ' ' ALA . 6.3 mm -121.94 125.47 73.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.453 ' O ' HG21 ' A' ' 20' ' ' THR . 68.1 p -135.27 -161.13 1.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 110.434 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -79.23 -65.09 1.04 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.419 ' C ' ' N ' ' A' ' 72' ' ' GLN . 2.9 tp60 -53.03 -47.51 68.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.453 ' O ' ' N ' ' A' ' 75' ' ' ARG . 8.9 m170 -44.3 -26.87 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.59 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.419 ' N ' ' C ' ' A' ' 70' ' ' GLN . 2.0 tt0 -72.09 -54.62 9.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.0 mt -57.5 -38.34 62.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -85.13 -17.31 37.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.586 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 71' ' ' HIS . 3.7 mtp180 58.98 31.57 21.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.244 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.446 ' O ' ' CD2' ' A' ' 71' ' ' HIS . 1.1 p -123.21 147.14 47.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.952 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.546 ' HB2' HG23 ' A' ' 65' ' ' ILE . 1.4 p -122.9 175.51 6.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 108.292 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.475 HG23 ' O ' ' A' ' 89' ' ' HIS . 53.1 m -116.51 117.84 31.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.417 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.833 HG11 HD21 ' A' ' 100' ' ' LEU . 57.3 t -89.76 121.96 40.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -124.84 102.67 7.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.341 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.562 HG12 ' CD1' ' A' ' 63' ' ' PHE . 25.5 mt -72.41 146.55 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.422 ' N ' ' O ' ' A' ' 62' ' ' PRO . 9.3 mmt -110.03 -26.68 9.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.503 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -104.86 151.84 23.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.54 -156.66 51.19 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.689 HG23 ' HD2' ' A' ' 86' ' ' PRO . 1.4 m -62.15 144.52 94.39 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.767 . . . . 0.0 110.363 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.689 ' HD2' HG23 ' A' ' 85' ' ' THR . 18.3 Cg_endo -75.02 110.37 3.1 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 110.994 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -126.87 108.87 11.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.343 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -104.15 106.95 17.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.329 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.475 ' O ' HG23 ' A' ' 78' ' ' THR . 95.2 m-70 -97.06 110.04 22.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.608 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -91.72 132.96 36.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 110.349 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 54.88 92.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.404 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 17.0 mtp -125.96 136.61 28.71 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 92' ' ' MET . 18.3 Cg_endo -75.0 140.32 25.3 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.485 1.781 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -38.27 -67.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.267 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -38.67 -69.39 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.127 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 99' ' ' VAL . 0.7 OUTLIER -43.97 -56.38 3.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 109.327 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -47.79 -45.55 29.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 34.2 mmt -66.68 -24.98 66.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 111.042 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.459 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.4 OUTLIER -84.22 -47.25 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.833 HD21 HG11 ' A' ' 79' ' ' VAL . 0.1 OUTLIER -60.64 -29.76 69.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.488 ' O ' ' CB ' ' A' ' 105' ' ' TYR . 0.8 OUTLIER -84.85 -48.69 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.478 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -62.57 -26.69 68.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.459 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 3.1 mmm180 -82.58 -59.44 2.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -55.37 -52.6 62.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.357 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.504 ' CZ ' ' HD3' ' A' ' 109' ' ' LYS . 18.0 t80 -41.34 -50.14 3.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -49.1 -57.92 5.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.336 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.401 ' HA ' ' ND2' ' A' ' 110' ' ' ASN . 0.0 OUTLIER -52.38 -61.53 2.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.256 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -46.12 -24.79 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.504 ' HD3' ' CZ ' ' A' ' 105' ' ' TYR . 0.7 OUTLIER -85.63 -44.65 12.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.401 ' ND2' ' HA ' ' A' ' 107' ' ' ARG . 54.1 m-20 -48.42 -34.5 11.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -89.61 -25.69 21.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 0.0 110.303 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 13.7 t -72.6 -52.46 15.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 108.3 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.41 -39.59 3.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.52 -49.15 75.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -117.59 63.93 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -175.83 -53.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.364 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 25.0 mtt180 59.46 108.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.279 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -49.93 -179.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -123.23 23.99 8.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 84.2 mt -48.13 123.17 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -141.71 52.97 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.249 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.97 107.61 0.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.33 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.86 119.88 6.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -179.11 135.59 0.13 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.07 136.86 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.99 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 168.0 76.07 0.04 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.457 1.098 . . . . 0.0 111.042 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 175.82 10.71 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.481 1.779 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 29.3 p -175.52 164.91 3.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.009 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.83 155.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.981 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.537 1.148 . . . . 0.0 110.971 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -79.83 -58.39 3.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 110.043 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.76 155.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.6 -115.54 4.11 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.512 1.132 . . . . 0.0 111.035 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m 51.34 87.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 110.015 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.02 151.92 25.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.027 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.62 157.77 40.4 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 134.88 18.35 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.45 1.763 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.423 HG12 ' C ' ' A' ' 11' ' ' CYS . 84.1 t -134.04 114.28 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.248 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.02 -41.77 1.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.612 ' SG ' HD12 ' A' ' 65' ' ' ILE . 19.7 t -147.84 106.64 3.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 108.324 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.67 129.37 38.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.987 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.461 ' CG1' HG13 ' A' ' 67' ' ' ILE . 43.0 t -87.39 132.83 31.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.804 HG21 ' CD2' ' A' ' 49' ' ' LEU . 2.8 mm -112.7 113.5 44.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.61 HG22 ' O ' ' A' ' 17' ' ' ASN . 0.4 OUTLIER -126.16 100.98 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.546 ' CG1' HD12 ' A' ' 43' ' ' LEU . 8.2 m -77.5 -15.72 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.61 ' O ' HG22 ' A' ' 15' ' ' VAL . 33.3 m120 -92.76 152.91 19.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -104.46 6.3 34.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.7 tm0? -97.39 -39.38 9.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.1 p -84.97 54.35 3.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 110.399 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.412 ' HE3' ' CZ ' ' A' ' 42' ' ' PHE . 7.1 tttt -81.8 -50.55 9.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -70.53 -45.03 66.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -56.98 -57.24 13.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.867 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -57.78 -36.32 71.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.836 ' CG ' HD22 ' A' ' 40' ' ' LEU . 2.3 mt-10 -66.08 -9.73 33.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.346 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 29' ' ' ARG . 5.2 t -90.94 -71.06 0.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.007 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.674 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -41.52 -30.11 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.622 ' CA ' HG11 ' A' ' 38' ' ' VAL . . . -74.5 -46.66 18.7 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 111.055 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 26' ' ' SER . 16.5 ptt180 -66.25 -36.94 84.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 0.776 . . . . 0.0 110.299 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.417 ' N ' ' CG ' ' A' ' 29' ' ' ARG . 11.6 mmtt -54.1 -34.81 61.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.88 ' HB ' HG21 ' A' ' 38' ' ' VAL . 91.8 t -75.02 -26.49 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -74.69 -31.52 61.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -61.13 -18.79 59.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.7 OUTLIER -88.98 -11.85 43.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.078 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.12 21.16 21.29 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.531 1.144 . . . . 0.0 110.952 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.543 ' O ' HG23 ' A' ' 38' ' ' VAL . 96.0 mtp -104.89 134.98 47.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.7 t -65.55 121.57 14.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.88 HG21 ' HB ' ' A' ' 31' ' ' VAL . 34.9 t -128.62 153.29 37.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -146.8 167.6 23.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.836 HD22 ' CG ' ' A' ' 25' ' ' GLU . 1.3 mp -119.47 128.46 54.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.7 mt -114.78 105.19 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.412 ' CZ ' ' HE3' ' A' ' 21' ' ' LYS . 50.7 m-85 -89.52 130.16 35.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.546 HD12 ' CG1' ' A' ' 16' ' ' VAL . 0.6 OUTLIER -126.2 138.23 53.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -172.48 118.93 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.1 m 42.66 57.74 3.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.423 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -154.61 -66.89 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.7 m -139.95 171.66 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.8 t -97.89 169.43 9.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.974 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.804 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.8 OUTLIER -50.87 -59.83 3.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.98 -51.25 7.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.31 -34.18 1.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.295 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.562 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -85.48 -40.03 16.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.456 ' HG ' HD22 ' A' ' 49' ' ' LEU . 66.8 mt -58.85 -42.92 90.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -61.39 -28.63 69.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.457 ' HA ' ' CD ' ' A' ' 58' ' ' ARG . 10.6 t0 -83.58 -26.9 29.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.776 HG11 ' HB2' ' A' ' 64' ' ' ALA . 40.8 t -62.31 -44.06 98.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.32 -59.21 2.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.038 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.457 ' CD ' ' HA ' ' A' ' 55' ' ' ASP . 6.3 ptm180 -55.42 -33.86 63.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.264 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.412 ' N ' ' HG2' ' A' ' 58' ' ' ARG . . . -70.4 -32.12 68.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.545 1.153 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 123.68 -32.04 4.39 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.701 ' HB3' HG13 ' A' ' 56' ' ' VAL . 1.0 OUTLIER -39.15 115.9 0.99 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.458 0.74 . . . . 0.0 110.013 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.442 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.3 Cg_endo -74.99 -44.43 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.462 1.77 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.557 ' CE1' HG12 ' A' ' 81' ' ' ILE . 9.5 m-30 -113.08 153.1 28.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 111.027 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.776 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -143.23 126.57 16.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.612 HD12 ' SG ' ' A' ' 11' ' ' CYS . 4.7 mt -95.26 136.73 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.523 HG22 HD11 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -100.24 126.1 53.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.358 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.867 HG21 ' HB2' ' A' ' 24' ' ' ALA . 6.0 mm -122.74 121.96 64.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 69.2 p -129.99 -152.18 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.387 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -88.61 -64.18 1.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.271 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.699 ' HA ' HD12 ' A' ' 73' ' ' ILE . 5.4 mt-30 -54.21 -43.63 70.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.489 ' CD2' ' O ' ' A' ' 76' ' ' SER . 11.0 m170 -47.04 -26.52 1.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.647 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -74.86 -40.34 61.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.342 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.699 HD12 ' HA ' ' A' ' 70' ' ' GLN . 12.0 mt -66.53 -42.52 90.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -86.49 -14.91 41.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.571 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 71' ' ' HIS . 1.9 mtp180 58.6 36.63 25.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.357 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.489 ' O ' ' CD2' ' A' ' 71' ' ' HIS . 4.2 p -125.82 144.18 50.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.955 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.548 ' HB2' HG23 ' A' ' 65' ' ' ILE . 2.3 p -119.79 174.77 6.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 108.248 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.663 HG23 ' O ' ' A' ' 89' ' ' HIS . 25.2 m -116.23 116.53 27.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 110.42 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.574 HG11 HD21 ' A' ' 100' ' ' LEU . 59.0 t -90.04 118.26 34.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -118.32 109.98 16.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.557 HG12 ' CE1' ' A' ' 63' ' ' PHE . 29.4 mt -76.42 144.13 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 62' ' ' PRO . 3.6 mmt -111.48 -28.11 8.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.516 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -96.64 157.45 15.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.095 . . . . 0.0 110.976 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 59.05 -168.48 6.5 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.536 1.147 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.748 HG23 ' HD2' ' A' ' 86' ' ' PRO . 2.7 m -41.06 146.35 0.5 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.51 0.771 . . . . 0.0 110.438 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.748 ' HD2' HG23 ' A' ' 85' ' ' THR . 18.2 Cg_endo -75.0 91.61 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.507 1.793 . . . . 0.0 110.997 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -107.96 110.78 22.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -114.1 109.4 18.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.663 ' O ' HG23 ' A' ' 78' ' ' THR . 37.8 m-70 -91.65 132.61 36.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.592 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.4 mtm-85 -116.18 124.99 51.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.9 t30 62.42 95.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.474 ' CE ' ' HB3' ' A' ' 96' ' ' ASP . 15.9 mmm -136.48 137.37 23.92 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 111.027 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 92' ' ' MET . 18.4 Cg_endo -74.97 142.46 27.99 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.496 1.787 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -37.9 -70.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 110.333 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -37.31 -59.91 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.474 ' HB3' ' CE ' ' A' ' 92' ' ' MET . 0.5 OUTLIER -49.3 -58.64 4.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -48.51 -46.1 38.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.427 ' HE1' ' HA ' ' A' ' 94' ' ' GLN . 0.0 OUTLIER -60.91 -26.52 67.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -86.83 -45.37 16.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.574 HD21 HG11 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -63.47 -27.68 69.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.502 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.7 OUTLIER -85.33 -49.44 15.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.502 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -62.96 -34.72 78.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 -70.91 -67.27 0.52 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.12 . . . . 0.0 110.347 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -45.16 -54.08 7.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.502 ' CZ ' ' HE2' ' A' ' 109' ' ' LYS . 19.2 t80 -43.37 -57.71 2.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -41.34 -58.83 1.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.414 ' HA ' ' ND2' ' A' ' 110' ' ' ASN . 0.0 OUTLIER -62.1 -56.08 22.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 110.332 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -43.13 -42.61 4.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.502 ' HE2' ' CZ ' ' A' ' 105' ' ' TYR . 4.5 mtmt -65.62 -43.92 88.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.414 ' ND2' ' HA ' ' A' ' 107' ' ' ARG . 26.0 m-20 -50.2 -31.0 12.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -93.22 -25.43 17.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 18.1 t -71.16 -53.03 15.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 108.323 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 115' ' ' LYS . 0.1 OUTLIER -44.76 -48.02 10.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.21 92.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 113' ' ' ARG . 8.9 tttt -161.92 -66.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -147.75 130.27 15.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.275 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 116' ' ' GLU . 0.7 OUTLIER -35.05 105.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 110.285 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.779 ' OE1' HD12 ' A' ' 120' ' ' ILE . 1.1 tt0 -45.91 171.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.337 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -124.93 37.0 4.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.779 HD12 ' OE1' ' A' ' 118' ' ' GLU . 95.1 mt -105.71 145.65 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -125.73 65.76 1.18 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.19 122.85 24.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -156.76 93.82 1.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.269 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -124.84 169.34 12.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.06 133.38 3.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.014 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -98.7 110.68 4.06 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.11 . . . . 0.0 110.981 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -43.23 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.47 1.774 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.57 130.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.972 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 47.9 t -155.44 143.37 19.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.008 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.067 0 O-C-N 124.453 1.095 . . . . 0.0 110.983 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.2 m -118.54 -59.1 1.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 109.97 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.6 p 57.17 170.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.015 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.81 134.63 13.87 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.524 1.14 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t -119.76 154.77 33.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 110.013 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.2 p 175.6 -48.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.024 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.46 -166.67 23.76 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 133.77 17.03 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.461 1.769 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.483 HG12 ' O ' ' A' ' 11' ' ' CYS . 58.8 t -132.27 122.23 47.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.09 -47.69 11.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.483 ' O ' HG12 ' A' ' 9' ' ' VAL . 4.1 t -137.45 129.14 28.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 108.299 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.4 m -112.56 121.47 44.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.973 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.9 t -86.9 119.56 34.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.771 HG21 HD23 ' A' ' 49' ' ' LEU . 1.4 mm -103.48 105.25 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -112.57 97.21 5.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.775 HG12 HD12 ' A' ' 43' ' ' LEU . 10.7 m -76.74 68.86 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.345 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 167.55 169.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -116.53 24.22 11.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.14 -53.3 2.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 p -77.98 57.76 1.82 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 0.0 110.344 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.555 ' HE3' ' CZ ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -83.74 -55.29 4.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -61.67 -50.68 71.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.494 ' CE1' HG23 ' A' ' 67' ' ' ILE . 22.9 t80 -55.8 -59.83 4.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 111.013 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.424 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -53.09 -41.09 64.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.123 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.86 ' HG2' HD22 ' A' ' 40' ' ' LEU . 5.8 mt-10 -63.24 -11.77 23.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 29' ' ' ARG . 4.4 t -88.14 -70.61 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.552 HG11 HG21 ' A' ' 65' ' ' ILE . 0.3 OUTLIER -40.79 -31.69 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.775 ' HA2' HG11 ' A' ' 38' ' ' VAL . . . -73.91 -47.64 18.85 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.434 1.084 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 26' ' ' SER . 16.8 ptt85 -66.3 -26.18 67.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.771 . . . . 0.0 110.272 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -65.91 -41.84 90.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.855 ' HB ' HG21 ' A' ' 38' ' ' VAL . 95.4 t -68.81 -25.85 31.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.412 ' HG2' HG23 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -74.56 -32.48 62.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.346 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -62.69 -16.21 56.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 31' ' ' VAL . 1.0 OUTLIER -91.35 -11.52 37.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.91 29.78 8.37 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.114 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.548 ' O ' HG23 ' A' ' 38' ' ' VAL . 93.2 mtp -115.75 134.98 54.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 26.1 t -65.56 121.58 14.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.855 HG21 ' HB ' ' A' ' 31' ' ' VAL . 31.1 t -128.23 149.01 32.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -140.2 168.01 20.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.86 HD22 ' HG2' ' A' ' 25' ' ' GLU . 0.9 OUTLIER -121.94 128.03 51.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.252 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.529 ' CG2' HD21 ' A' ' 43' ' ' LEU . 23.7 mt -115.32 110.06 30.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.555 ' CZ ' ' HE3' ' A' ' 21' ' ' LYS . 55.6 m-85 -94.79 117.77 30.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.775 HD12 HG12 ' A' ' 16' ' ' VAL . 6.8 mt -108.94 133.62 52.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 45' ' ' THR . 9.2 p-10 -177.05 125.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 44' ' ' ASN . 5.3 p 37.02 42.63 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 110.419 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -142.47 -68.7 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.291 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.516 HG23 HD22 ' A' ' 43' ' ' LEU . 33.8 m -137.46 179.43 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.1 t -109.18 171.13 7.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.977 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.771 HD23 HG21 ' A' ' 14' ' ' ILE . 0.6 OUTLIER -50.46 -61.45 2.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.336 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.7 p -41.27 -53.34 3.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 110.023 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -42.01 -36.55 1.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.278 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.949 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -81.92 -42.21 19.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.454 ' HG ' HD22 ' A' ' 49' ' ' LEU . 56.6 mt -58.59 -38.95 79.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -62.82 -46.75 86.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.302 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -68.35 -29.25 67.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.949 HG23 ' O ' ' A' ' 52' ' ' ALA . 55.4 t -61.77 -54.42 34.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -62.98 1.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.017 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.76 -34.83 41.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -70.26 -31.41 68.89 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 122.25 -28.48 5.79 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.681 ' CB ' HG13 ' A' ' 56' ' ' VAL . 32.6 m -40.58 107.17 0.45 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.774 . . . . 0.0 110.012 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.412 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.3 Cg_endo -74.99 -35.33 3.2 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.469 1.773 . . . . 0.0 110.966 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.507 ' CE1' HG12 ' A' ' 81' ' ' ILE . 16.7 m-30 -114.36 145.35 41.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.95 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.61 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -141.96 124.03 15.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.552 HG21 HG11 ' A' ' 27' ' ' VAL . 10.0 mt -97.03 140.06 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.079 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.511 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 0.7 OUTLIER -105.19 137.56 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.24 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.494 HG23 ' CE1' ' A' ' 23' ' ' TYR . 4.0 mm -128.01 153.26 37.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.085 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.448 HG22 ' CG ' ' A' ' 71' ' ' HIS . 2.0 t -173.82 159.39 3.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 110.397 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -39.17 -65.43 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 73' ' ' ILE . 0.0 OUTLIER -49.96 -59.21 4.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.242 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.532 ' CD2' ' O ' ' A' ' 76' ' ' SER . 13.2 m170 -40.35 -33.26 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 109.577 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -66.42 -50.29 63.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 70' ' ' GLN . 14.0 mt -57.99 -60.17 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -67.44 -10.25 49.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.594 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.4 mpp_? 54.13 38.74 29.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 0.0 110.344 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.532 ' O ' ' CD2' ' A' ' 71' ' ' HIS . 0.9 OUTLIER -130.51 145.62 51.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.023 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.458 ' HB2' HG23 ' A' ' 65' ' ' ILE . 1.5 p -122.94 175.48 6.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 108.351 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.451 HG23 ' O ' ' A' ' 89' ' ' HIS . 15.9 m -115.56 115.56 26.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.417 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.475 HG11 HD21 ' A' ' 100' ' ' LEU . 58.4 t -90.44 128.19 42.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 -127.84 110.64 12.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.507 HG12 ' CE1' ' A' ' 63' ' ' PHE . 42.3 mt -78.13 144.27 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.412 ' N ' ' O ' ' A' ' 62' ' ' PRO . 11.1 mmt -106.75 -27.67 10.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.48 ' O ' ' CG2' ' A' ' 81' ' ' ILE . 0.3 OUTLIER -102.2 150.95 22.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 71.86 -171.4 47.87 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.462 1.101 . . . . 0.0 111.042 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.746 HG23 ' HD2' ' A' ' 86' ' ' PRO . 2.7 m -45.29 146.43 1.59 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.77 . . . . 0.0 110.404 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.746 ' HD2' HG23 ' A' ' 85' ' ' THR . 18.3 Cg_endo -74.97 100.1 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.52 1.8 . . . . 0.0 111.028 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -115.95 118.91 34.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -113.06 109.6 19.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.451 ' O ' HG23 ' A' ' 78' ' ' THR . 67.6 m-70 -91.93 117.66 30.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.569 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -107.3 126.7 52.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 47.8 t30 61.65 97.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 11.4 mmm -141.41 135.21 14.76 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 141.05 26.18 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.51 1.795 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -40.13 -66.94 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -37.61 -52.48 1.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 99' ' ' VAL . 0.3 OUTLIER -60.87 -56.76 17.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.286 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -47.24 -39.15 13.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.419 ' O ' HG12 ' A' ' 101' ' ' VAL . 31.1 mmt -66.98 -31.36 71.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 96' ' ' ASP . 0.4 OUTLIER -82.12 -40.82 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.475 HD21 HG11 ' A' ' 79' ' ' VAL . 0.1 OUTLIER -65.47 -29.38 70.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.486 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.6 OUTLIER -86.53 -49.04 15.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.486 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -60.51 -33.96 73.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 6.0 mmm180 -74.81 -68.48 0.54 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -44.63 -55.26 5.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.568 ' CE1' ' HD3' ' A' ' 109' ' ' LYS . 13.3 t80 -39.97 -56.87 1.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -43.84 -55.12 4.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -56.13 22.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.16 . . . . 0.0 110.328 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -42.76 -37.75 1.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.568 ' HD3' ' CE1' ' A' ' 105' ' ' TYR . 0.3 OUTLIER -70.55 -47.61 59.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.258 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 19.4 m-20 -47.22 -33.29 5.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -92.24 -25.48 18.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.318 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . 0.401 ' N ' ' O ' ' A' ' 109' ' ' LYS . 16.2 t -69.0 -58.1 4.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 108.307 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.47 -34.87 2.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.33 100.86 0.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 110.288 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.35 -179.03 5.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.38 74.21 1.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 3.9 mtp85 56.96 106.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.283 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -45.14 163.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.265 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -50.65 -24.16 3.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.161 . . . . 0.0 110.304 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 3.6 mt -69.67 147.93 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -130.76 69.8 1.46 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.35 102.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.55 144.49 28.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 110.329 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -150.47 132.64 15.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.1 m -117.17 133.79 55.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.148 . . . . 0.0 110.025 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -129.81 -135.26 3.85 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 158.03 42.22 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.469 1.773 . . . . 0.0 110.959 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.8 t -143.52 134.61 25.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.035 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 47.6 96.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.028 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.51 1.132 . . . . 0.0 111.015 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.28 118.66 15.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.767 . . . . 0.0 110.021 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.0 m -165.52 -56.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 110.003 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.26 -116.52 1.15 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.522 1.139 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.4 t -127.74 -63.2 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.762 . . . . 0.0 109.982 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.8 t -119.39 111.63 18.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.002 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.07 157.08 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.476 ' CG ' ' HA3' ' A' ' 60' ' ' GLY . 18.4 Cg_endo -74.98 53.85 3.45 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.536 1.808 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.406 ' O ' ' O ' ' A' ' 8' ' ' PRO . 75.3 t 60.6 147.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.419 ' HB2' ' N ' ' A' ' 37' ' ' VAL . 1.1 m-20 -96.94 -37.4 10.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.847 ' O ' HG13 ' A' ' 38' ' ' VAL . 0.7 OUTLIER -149.13 97.35 2.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 108.331 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.18 128.84 33.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.011 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.433 HG23 ' CG1' ' A' ' 38' ' ' VAL . 55.4 t -92.33 114.62 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.784 HG21 ' CD2' ' A' ' 49' ' ' LEU . 4.7 mm -89.96 110.15 21.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 41' ' ' ILE . 0.9 OUTLIER -123.52 103.79 13.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.543 HG12 ' CD1' ' A' ' 43' ' ' LEU . 6.1 m -79.8 -38.16 18.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -67.37 146.91 53.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.5 mmmt -101.25 5.24 42.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.24 -29.52 11.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 110.321 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.0 p -88.0 61.34 6.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.143 . . . . 0.0 110.372 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.575 ' HE3' ' CZ ' ' A' ' 42' ' ' PHE . 11.1 ttmt -86.54 -60.47 1.99 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -61.84 -53.56 54.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.56 ' CE2' ' HA ' ' A' ' 72' ' ' GLN . 2.9 t80 -47.35 -45.88 25.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 111.015 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.541 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -73.89 -38.34 64.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.28 -18.08 5.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 29' ' ' ARG . 5.8 t -87.71 -68.08 0.78 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 109.997 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.789 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -39.67 -33.0 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.798 ' HA2' HG11 ' A' ' 38' ' ' VAL . . . -74.17 -48.75 14.24 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 26' ' ' SER . 4.0 ptp180 -66.92 -27.66 67.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 0.791 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -63.01 -41.04 99.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.905 ' HB ' HG21 ' A' ' 38' ' ' VAL . 75.6 t -70.57 -25.6 27.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -75.07 -32.0 61.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.313 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -60.57 -19.1 56.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.7 OUTLIER -89.86 -11.33 42.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.96 29.2 8.73 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.521 ' O ' HG23 ' A' ' 38' ' ' VAL . 94.7 mtp -114.72 131.74 56.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 0.764 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.419 ' N ' ' HB2' ' A' ' 10' ' ' ASP . 40.2 t -65.52 122.66 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.905 HG21 ' HB ' ' A' ' 31' ' ' VAL . 39.9 t -127.69 146.92 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -133.85 168.33 18.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.17 123.43 40.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.431 ' O ' HG13 ' A' ' 15' ' ' VAL . 31.1 mt -107.99 104.74 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.575 ' CZ ' ' HE3' ' A' ' 21' ' ' LYS . 41.1 m-85 -90.62 114.37 26.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 110.978 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.543 ' CD1' HG12 ' A' ' 16' ' ' VAL . 0.5 OUTLIER -112.2 161.8 16.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.33 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -145.86 -62.62 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.4 m -131.29 -53.47 1.03 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.424 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.653 ' O ' HG22 ' A' ' 47' ' ' VAL . 13.5 mt-10 -41.37 129.01 3.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.653 HG22 ' O ' ' A' ' 46' ' ' GLU . 10.8 m 48.11 -155.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.418 ' N ' HG23 ' A' ' 47' ' ' VAL . 6.2 m -144.13 -179.66 6.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 110.001 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.784 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.1 OUTLIER -56.37 -59.96 4.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 53' ' ' LEU . 81.7 p -47.08 -51.72 17.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.039 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -47.5 -34.23 7.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 110.277 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 1.011 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -76.54 -34.25 58.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 50' ' ' SER . 29.5 mt -64.53 -54.15 36.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.268 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -56.22 -25.84 48.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.438 ' HA ' ' CD ' ' A' ' 58' ' ' ARG . 7.0 t70 -86.43 -25.32 25.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 1.011 HG23 ' O ' ' A' ' 52' ' ' ALA . 54.9 t -66.04 -61.67 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.8 t -52.5 -61.42 2.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.013 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.438 ' CD ' ' HA ' ' A' ' 55' ' ' ASP . 3.3 ptm180 -49.5 -33.86 15.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.96 -32.27 83.67 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.476 ' HA3' ' CG ' ' A' ' 8' ' ' PRO . . . 130.69 -46.49 1.07 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 60' ' ' GLY . 0.2 OUTLIER -36.96 117.15 0.74 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.463 0.743 . . . . 0.0 110.001 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -38.22 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.47 1.774 . . . . 0.0 110.96 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.566 ' CD1' HG12 ' A' ' 81' ' ' ILE . 17.2 m-30 -113.24 149.57 33.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.716 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -145.42 131.14 18.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.45 HG23 ' HB2' ' A' ' 77' ' ' CYS . 4.9 mt -94.97 150.92 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.437 ' CG1' ' HB ' ' A' ' 78' ' ' THR . 0.5 OUTLIER -115.04 123.94 71.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.789 HD11 HG11 ' A' ' 27' ' ' VAL . 4.6 mm -125.09 122.74 63.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 64.2 p -130.77 -149.77 0.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.408 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.04 -63.13 1.34 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.892 ' HA ' HD12 ' A' ' 73' ' ' ILE . 10.8 mt-30 -51.84 -45.11 63.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 76' ' ' SER . 12.1 m170 -48.63 -31.06 6.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.582 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.56 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 6.8 tt0 -67.8 -35.24 78.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.892 HD12 ' HA ' ' A' ' 70' ' ' GLN . 10.7 mt -70.02 -65.28 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -65.16 -18.34 65.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.565 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 71' ' ' HIS . 0.8 OUTLIER 62.55 49.33 4.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 110.314 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.59 ' O ' ' CD2' ' A' ' 71' ' ' HIS . 1.4 m -137.17 147.86 46.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.046 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.45 ' HB2' HG23 ' A' ' 65' ' ' ILE . 2.1 p -121.31 175.51 6.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 108.285 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.725 HG23 ' O ' ' A' ' 89' ' ' HIS . 36.5 m -118.29 121.71 41.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.393 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.55 HG11 HD21 ' A' ' 100' ' ' LEU . 97.7 t -89.91 111.52 23.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -110.16 119.7 40.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.566 HG12 ' CD1' ' A' ' 63' ' ' PHE . 32.1 mt -89.12 144.57 8.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.158 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.4 mmt -111.02 -28.43 8.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.965 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.567 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -91.73 152.61 20.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 58.79 -168.84 5.9 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.735 HG23 ' HD2' ' A' ' 86' ' ' PRO . 2.4 m -38.5 146.58 0.3 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.539 0.787 . . . . 0.0 110.367 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.735 ' HD2' HG23 ' A' ' 85' ' ' THR . 18.4 Cg_endo -74.96 88.3 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.477 1.777 . . . . 0.0 111.021 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -107.89 116.52 32.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -125.91 98.81 5.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.725 ' O ' HG23 ' A' ' 78' ' ' THR . 39.4 m-70 -74.86 126.0 30.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.576 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.8 mtp85 -113.99 134.79 54.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 72.28 70.59 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.447 ' CE ' ' HB3' ' A' ' 96' ' ' ASP . 21.8 mmm -131.72 128.96 21.88 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 170.56 20.16 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.529 1.805 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -56.65 -66.15 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -37.79 -70.59 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.447 ' HB3' ' CE ' ' A' ' 92' ' ' MET . 0.2 OUTLIER -45.73 -57.92 3.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -45.21 -51.6 10.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.413 ' O ' HG12 ' A' ' 101' ' ' VAL . 27.5 mmt -57.72 -27.72 63.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 111.047 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.494 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.5 OUTLIER -84.21 -47.31 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.55 HD21 HG11 ' A' ' 79' ' ' VAL . 0.1 OUTLIER -61.58 -28.39 69.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.465 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.8 OUTLIER -85.49 -47.37 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.465 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -62.53 -41.44 98.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 0.2 OUTLIER -65.67 -71.24 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -40.68 -60.49 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.255 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.527 ' CE1' ' HD3' ' A' ' 109' ' ' LYS . 14.8 t80 -38.08 -60.68 0.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -40.71 -47.3 2.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 110' ' ' ASN . 0.0 OUTLIER -70.18 -61.19 1.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.373 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -38.83 -35.94 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.971 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.527 ' HD3' ' CE1' ' A' ' 105' ' ' TYR . 0.8 OUTLIER -67.57 -49.51 62.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 107' ' ' ARG . 0.3 OUTLIER -47.05 -39.22 12.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.407 ' N ' ' CG ' ' A' ' 110' ' ' ASN . 3.6 mm-40 -73.94 -29.34 61.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 110.256 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 109' ' ' LYS . 1.2 t -49.36 -64.31 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 108.29 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.99 -39.06 58.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -60.46 -49.2 78.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.96 81.96 1.82 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -106.51 -26.06 11.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 61.63 142.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -46.22 170.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.307 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -119.58 38.88 3.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 6.5 mt -46.21 146.68 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -158.76 -65.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 47.03 90.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -170.76 143.95 2.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . 44.49 74.43 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.82 124.73 20.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -163.39 150.85 20.04 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.554 1.159 . . . . 0.0 110.944 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 150.28 37.94 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.529 1.805 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 33.4 t -145.96 128.68 16.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.032 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 45.7 m -98.85 144.85 27.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.98 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.945 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.6 p -172.33 91.2 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 0.757 . . . . 0.0 110.014 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.46 144.29 48.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.989 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.35 98.04 1.65 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -168.95 78.33 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 0.771 . . . . 0.0 110.011 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.7 t 62.16 108.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.009 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.57 165.55 32.36 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.464 1.102 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 127.65 10.83 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.493 1.786 . . . . 0.0 110.954 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 10' ' ' ASP . 40.4 t -123.84 121.46 62.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 9' ' ' VAL . 0.4 OUTLIER -39.79 -46.89 2.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.452 ' O ' HG13 ' A' ' 38' ' ' VAL . 12.3 t -148.74 114.88 5.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 108.268 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.67 132.0 43.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.966 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.452 ' CG1' HG13 ' A' ' 67' ' ' ILE . 93.9 t -90.58 120.86 40.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.597 HG21 ' CD2' ' A' ' 49' ' ' LEU . 2.1 mm -102.46 107.57 22.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -116.25 97.88 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.863 HG12 HD12 ' A' ' 43' ' ' LEU . 30.0 m -72.3 -45.2 61.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -56.01 159.97 3.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.351 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.411 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 0.3 OUTLIER -114.05 40.14 2.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.17 -46.07 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 p -70.27 59.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.403 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -86.66 -57.47 2.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.94 -55.7 26.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -49.63 -56.11 11.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.556 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -56.65 -42.09 78.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.89 ' CG ' HD22 ' A' ' 40' ' ' LEU . 1.5 mt-10 -62.57 -11.95 19.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 29' ' ' ARG . 4.8 t -86.89 -68.86 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.017 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.703 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -43.74 -31.28 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.71 ' HA2' HG11 ' A' ' 38' ' ' VAL . . . -73.28 -42.46 42.41 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 26' ' ' SER . 9.8 ptt180 -72.55 -24.45 61.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 0.73 . . . . 0.0 110.284 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -68.7 -40.6 79.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.972 ' HB ' HG21 ' A' ' 38' ' ' VAL . 63.9 t -65.82 -27.0 40.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.5 mtt-85 -74.52 -32.96 62.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 110.246 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -60.36 -17.93 46.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.592 1.182 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.7 OUTLIER -90.89 -11.01 40.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.15 29.6 8.87 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.468 ' HG2' ' CE1' ' A' ' 105' ' ' TYR . 93.8 mtp -115.4 133.65 55.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.77 . . . . 0.0 111.004 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.3 t -65.81 121.37 14.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.972 HG21 ' HB ' ' A' ' 31' ' ' VAL . 60.1 t -131.55 150.19 33.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -142.37 168.33 20.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.89 HD22 ' CG ' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -117.87 126.96 53.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.117 . . . . 0.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.1 mt -113.2 107.47 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.425 ' CZ ' HD23 ' A' ' 40' ' ' LEU . 49.2 m-85 -94.65 121.16 35.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.863 HD12 HG12 ' A' ' 16' ' ' VAL . 14.1 mt -102.58 62.81 0.85 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -59.81 -63.82 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.1 m -147.89 78.72 1.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.375 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -132.74 -91.44 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.511 HG12 ' H ' ' A' ' 48' ' ' SER . 1.6 t -133.29 -144.77 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.511 ' H ' HG12 ' A' ' 47' ' ' VAL . 53.8 m -98.53 -179.18 4.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.981 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.597 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.5 OUTLIER -69.97 -57.47 4.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.0 p -42.68 -43.4 3.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 110.007 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -48.42 -39.23 21.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.768 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -72.8 -41.94 64.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 94.4 mt -59.83 -39.8 86.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -61.09 -30.98 70.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.28 -29.04 24.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 52' ' ' ALA . 75.9 t -62.32 -39.37 83.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -59.92 2.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.017 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.403 ' CG ' ' N ' ' A' ' 59' ' ' GLY . 0.2 OUTLIER -56.75 -36.49 69.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.403 ' N ' ' CG ' ' A' ' 58' ' ' ARG . . . -64.92 -32.22 83.5 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 122.83 -31.51 4.74 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.734 ' CB ' HG13 ' A' ' 56' ' ' VAL . 1.0 OUTLIER -39.41 110.63 0.63 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.51 0.771 . . . . 0.0 109.965 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.417 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.2 Cg_endo -74.99 -37.37 2.06 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.554 1.818 . . . . 0.0 111.005 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.462 ' CD1' HG12 ' A' ' 81' ' ' ILE . 11.4 m-30 -114.28 151.17 33.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.733 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -144.65 119.28 9.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.411 HG21 HG11 ' A' ' 27' ' ' VAL . 9.3 mt -94.93 131.65 41.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.472 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 0.6 OUTLIER -99.17 135.24 35.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.703 HD11 HG11 ' A' ' 27' ' ' VAL . 3.7 mm -128.62 154.84 40.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 69' ' ' GLN . 1.6 t -174.92 159.56 2.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.378 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.426 ' O ' ' CB ' ' A' ' 72' ' ' GLN . 0.0 OUTLIER -38.99 -65.31 0.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.14 -57.46 5.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' A' ' 76' ' ' SER . 15.0 m170 -43.29 -29.62 0.43 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 109.602 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.426 ' CB ' ' O ' ' A' ' 69' ' ' GLN . 8.2 tt0 -66.36 -49.59 66.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.336 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 12.4 mt -60.35 -58.08 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -69.82 -9.83 56.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.622 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 71' ' ' HIS . 2.9 mtp180 50.47 41.37 25.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.581 ' O ' ' CD2' ' A' ' 71' ' ' HIS . 34.5 p -132.41 145.24 51.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.978 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.417 ' HB3' HD13 ' A' ' 67' ' ' ILE . 1.6 p -122.65 175.49 6.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 108.287 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 55.3 m -115.06 113.05 23.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.379 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.565 HG11 HD21 ' A' ' 100' ' ' LEU . 60.9 t -90.2 119.63 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -122.62 114.09 20.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.462 HG12 ' CD1' ' A' ' 63' ' ' PHE . 36.2 mt -78.46 148.81 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.417 ' N ' ' O ' ' A' ' 62' ' ' PRO . 7.5 mmt -114.39 -21.34 10.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -103.4 150.06 24.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.5 -161.39 50.86 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.463 1.102 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.749 HG23 ' HD2' ' A' ' 86' ' ' PRO . 2.5 m -51.02 146.58 10.38 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.518 0.775 . . . . 0.0 110.428 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.749 ' HD2' HG23 ' A' ' 85' ' ' THR . 18.2 Cg_endo -75.01 95.37 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.489 1.783 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -110.61 114.78 28.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.312 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -113.49 109.81 19.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.29 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -93.39 115.65 28.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.606 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 61.7 mtt180 -102.92 126.45 50.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 62.1 98.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.421 ' CE ' ' HB3' ' A' ' 96' ' ' ASP . 10.3 mmm -142.33 137.46 15.62 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 92' ' ' MET . 18.1 Cg_endo -75.03 138.38 22.88 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.452 1.764 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.443 ' CG ' HG23 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -37.92 -62.44 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -39.39 -60.58 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 99' ' ' VAL . 0.9 OUTLIER -52.87 -58.03 8.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -46.26 -48.86 17.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 34.9 mmt -57.87 -26.89 62.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' A' ' 96' ' ' ASP . 0.4 OUTLIER -86.89 -45.65 16.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.565 HD21 HG11 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -61.48 -27.74 68.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.502 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.7 OUTLIER -85.3 -49.48 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.502 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -62.32 -33.8 75.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.419 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 2.2 mmm180 -73.32 -66.58 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -46.67 -48.05 20.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.517 ' CZ ' ' HD3' ' A' ' 109' ' ' LYS . 34.5 t80 -50.09 -54.83 17.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -43.63 -52.61 6.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 110' ' ' ASN . 0.0 OUTLIER -59.75 -59.36 5.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -46.22 -25.64 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.98 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.517 ' HD3' ' CZ ' ' A' ' 105' ' ' TYR . 0.9 OUTLIER -83.83 -38.61 21.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 107' ' ' ARG . 74.6 m-20 -52.14 -22.58 4.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -72.12 -26.29 62.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 7.1 t -56.55 -50.28 72.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 108.323 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -72.37 -50.5 26.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -133.11 92.15 2.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -79.62 124.01 28.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 117' ' ' ARG . 5.5 tm-20 -171.36 80.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 116' ' ' GLU . 1.9 mpt_? -35.48 107.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -44.7 166.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.268 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -116.93 37.82 3.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 71.4 mt -101.69 124.83 55.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 56.91 164.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -179.7 89.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.254 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -90.54 141.85 28.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.108 . . . . 0.0 110.321 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -157.19 -57.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.4 m -58.86 -59.79 4.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.992 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -46.53 -86.42 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 116.73 4.67 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.551 1.816 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 88.1 p -100.66 134.94 42.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.0 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 9.4 t 65.92 158.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.013 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.457 1.098 . . . . 0.0 111.038 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.73 -61.86 2.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 0.745 . . . . 0.0 110.025 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.4 p -48.94 123.85 7.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.021 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.67 -57.19 2.1 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 t -52.46 -56.64 13.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 0.785 . . . . 0.0 110.015 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 m -57.84 165.31 1.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.143 . . . . 0.0 109.973 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.52 -160.87 6.49 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.48 1.112 . . . . 0.0 110.966 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 170.95 19.28 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.502 1.791 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 87.1 t -113.47 109.72 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.64 -44.16 2.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.641 ' O ' HG13 ' A' ' 38' ' ' VAL . 4.9 t -149.21 103.38 3.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 108.313 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 m -89.49 136.17 33.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.996 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.432 HG21 ' CA ' ' A' ' 28' ' ' GLY . 94.9 t -94.45 121.14 44.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.704 HG21 ' CD2' ' A' ' 49' ' ' LEU . 3.7 mm -100.49 116.07 43.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -129.55 97.96 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.935 HG12 HD12 ' A' ' 43' ' ' LEU . 15.9 m -78.4 63.7 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.422 1.076 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.5 m120 168.62 178.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -114.72 -36.54 4.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -41.4 -44.96 2.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.473 HG21 ' O ' ' A' ' 68' ' ' THR . 1.5 p -93.94 60.1 2.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.376 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.11 -38.67 14.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -79.87 -57.82 3.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.58 ' CE2' ' HA ' ' A' ' 72' ' ' GLN . 2.2 t80 -44.85 -43.44 8.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.403 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -73.83 -34.96 64.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.77 -15.13 18.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 29' ' ' ARG . 5.7 t -89.54 -69.03 0.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.001 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.642 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -39.56 -32.25 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.254 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.575 ' HA2' HG11 ' A' ' 38' ' ' VAL . . . -76.95 -47.77 9.12 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 0.0 111.054 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 26' ' ' SER . 0.9 OUTLIER -67.86 -21.71 65.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 110.312 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -69.34 -36.66 77.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.349 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.959 ' HB ' HG21 ' A' ' 38' ' ' VAL . 75.8 t -74.54 -26.87 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.167 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.2 mtm180 -74.69 -31.98 62.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.155 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -61.45 -16.91 51.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.552 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.8 OUTLIER -91.68 -10.06 41.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.58 26.57 13.1 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.5 ' HB2' HG12 ' A' ' 31' ' ' VAL . 95.1 mtp -111.27 134.81 52.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.77 . . . . 0.0 110.981 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 49.0 t -65.71 127.01 26.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.959 HG21 ' HB ' ' A' ' 31' ' ' VAL . 96.7 t -136.44 150.35 27.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -140.18 167.94 20.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.72 124.32 48.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.4 mt -109.61 107.32 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.264 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -93.07 126.58 38.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.935 HD12 HG12 ' A' ' 16' ' ' VAL . 0.7 OUTLIER -126.38 102.7 7.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -136.81 93.23 2.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.3 m 66.97 70.57 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.376 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -163.81 -69.38 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.329 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 24.7 m -134.82 -176.66 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.5 m -105.72 169.82 8.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.033 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.704 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.7 OUTLIER -52.99 -59.08 4.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 53' ' ' LEU . 0.6 OUTLIER -44.61 -52.87 7.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.974 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -42.62 -33.91 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.582 1.176 . . . . 0.0 110.335 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.691 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -82.12 -42.08 19.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.457 ' HG ' HD22 ' A' ' 49' ' ' LEU . 62.7 mt -58.17 -52.88 63.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -48.96 -29.18 4.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -85.17 -35.27 21.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.093 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 52' ' ' ALA . 71.8 t -57.86 -47.0 87.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.06 -64.06 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.429 ' CG ' ' N ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -50.96 -38.07 48.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.274 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.429 ' N ' ' CG ' ' A' ' 58' ' ' ARG . . . -62.4 -31.66 80.23 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.461 1.101 . . . . 0.0 110.971 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.22 -23.17 9.97 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.682 ' CB ' HG13 ' A' ' 56' ' ' VAL . 0.4 OUTLIER -39.21 116.75 1.06 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.556 0.798 . . . . 0.0 110.01 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.524 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 18.4 Cg_endo -75.0 -46.52 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.419 1.747 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.416 ' N ' ' CD1' ' A' ' 63' ' ' PHE . 4.5 m-30 -116.25 150.44 37.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.607 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -141.86 128.22 19.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.108 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.524 HG23 ' HB2' ' A' ' 77' ' ' CYS . 21.0 mt -96.48 137.47 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.538 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 0.5 OUTLIER -102.8 129.0 55.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.642 HD11 HG11 ' A' ' 27' ' ' VAL . 4.1 mm -126.52 158.37 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.685 HG23 ' N ' ' A' ' 69' ' ' GLN . 9.7 t -172.88 -147.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 110.408 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.685 ' N ' HG23 ' A' ' 68' ' ' THR . 0.6 OUTLIER -86.39 -63.96 1.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.49 ' HA ' HD12 ' A' ' 73' ' ' ILE . 1.2 tp60 -51.66 -56.63 12.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.578 ' CD2' ' O ' ' A' ' 76' ' ' SER . 18.9 m170 -41.35 -32.79 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.585 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.58 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 10.2 tt0 -64.47 -50.79 66.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.49 HD12 ' HA ' ' A' ' 70' ' ' GLN . 6.8 mt -62.34 -63.91 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -58.38 -19.3 34.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.608 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 60.87 37.92 18.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.257 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.578 ' O ' ' CD2' ' A' ' 71' ' ' HIS . 1.3 p -131.48 143.76 50.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.524 ' HB2' HG23 ' A' ' 65' ' ' ILE . 1.9 p -122.82 172.17 8.65 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 108.295 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.782 HG23 ' O ' ' A' ' 89' ' ' HIS . 13.0 m -112.87 115.57 28.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 110.361 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 80.5 t -90.2 116.07 30.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -111.99 125.42 54.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.69 HG23 ' CD2' ' A' ' 83' ' ' PHE . 16.5 mt -89.38 146.3 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 62' ' ' PRO . 9.8 mmt -117.45 -30.82 5.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.69 ' CD2' HG23 ' A' ' 81' ' ' ILE . 4.9 p90 -67.07 -179.16 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.964 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.478 ' N ' ' CD1' ' A' ' 83' ' ' PHE . . . -38.53 159.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.135 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 34.0 m 57.59 112.45 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.773 . . . . 0.0 110.387 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 114.18 3.97 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.786 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.536 ' CB ' HD12 ' A' ' 81' ' ' ILE . 3.4 mm-40 -128.16 126.99 42.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -132.88 114.99 14.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 110.287 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.782 ' O ' HG23 ' A' ' 78' ' ' THR . 18.9 m-70 -106.16 125.59 51.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.574 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.1 mtp85 -108.69 124.67 50.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 26.4 t30 59.94 97.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.412 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 16.4 mmm -135.73 140.57 34.1 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 92' ' ' MET . 18.3 Cg_endo -74.99 136.36 20.31 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.525 1.803 . . . . 0.0 110.96 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.609 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 0.0 OUTLIER -38.25 -65.81 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 98' ' ' MET . . . -40.11 -71.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -46.16 -41.93 13.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.265 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 94' ' ' GLN . . . -56.86 -41.35 77.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 95' ' ' ALA . 32.0 mmt -65.43 -24.76 67.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 111.038 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.415 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.4 OUTLIER -86.52 -46.07 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.411 1.07 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.401 HD11 ' CD2' ' A' ' 89' ' ' HIS . 0.1 OUTLIER -61.69 -28.18 69.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.484 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.8 OUTLIER -85.24 -48.22 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.484 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -62.4 -30.81 71.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.415 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 6.5 mmm180 -76.3 -67.0 0.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.259 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -43.01 -59.1 2.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -40.13 -61.99 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -39.6 -55.33 1.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.241 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 110' ' ' ASN . 0.0 OUTLIER -66.94 -62.51 1.4 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.524 ' CE1' ' HB3' ' A' ' 62' ' ' PRO . 1.2 t80 -40.83 -28.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 112' ' ' CYS . 1.4 mtmt -75.5 -48.28 23.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 107' ' ' ARG . 0.5 OUTLIER -46.2 -40.05 10.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.429 ' N ' ' CG ' ' A' ' 110' ' ' ASN . 5.8 mm-40 -78.29 -28.2 47.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . 0.454 ' N ' ' O ' ' A' ' 109' ' ' LYS . 19.4 t -65.47 -64.94 0.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 108.306 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -44.83 -53.37 7.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.86 80.95 4.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.266 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.36 -177.87 6.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.48 101.71 0.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 60.1 109.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -43.69 164.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -104.52 37.09 2.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.48 HD13 ' HA ' ' A' ' 120' ' ' ILE . 7.0 mm -40.38 136.17 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.122 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -144.63 78.02 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.89 120.73 28.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.311 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -114.91 144.81 42.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -119.59 96.78 5.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.5 -59.15 5.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.938 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 130.05 -167.56 21.71 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.472 1.108 . . . . 0.0 110.981 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 152.69 41.08 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.506 1.793 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 14.0 t -155.4 146.49 22.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.962 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.65 103.89 2.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.968 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.5 -59.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 0.735 . . . . 0.0 110.02 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -101.45 160.31 14.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.98 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.18 -81.94 0.89 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.116 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.5 p -104.78 136.19 44.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.75 . . . . 0.0 109.982 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 t -148.05 -58.58 0.24 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.995 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.62 178.62 15.58 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.566 1.166 . . . . 0.0 111.0 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 141.97 27.09 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.457 1.767 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 10' ' ' ASP . 17.8 t -119.56 107.94 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -40.55 -51.81 2.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.287 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.608 ' O ' HG13 ' A' ' 38' ' ' VAL . 5.7 t -140.0 104.32 4.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 108.302 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.72 130.48 36.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.023 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.443 ' CG1' HG13 ' A' ' 67' ' ' ILE . 58.7 t -90.98 127.8 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.7 HG21 HD23 ' A' ' 49' ' ' LEU . 3.5 mm -106.99 114.76 46.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.526 HG22 ' O ' ' A' ' 17' ' ' ASN . 0.8 OUTLIER -125.71 101.31 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.611 HG12 HD12 ' A' ' 43' ' ' LEU . 26.8 m -75.55 -27.97 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.526 ' O ' HG22 ' A' ' 15' ' ' VAL . 0.4 OUTLIER -84.15 135.87 34.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -92.55 26.23 2.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.245 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -116.03 -39.67 3.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 110.329 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.7 p -83.25 57.39 3.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.433 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.469 ' HE3' ' CZ ' ' A' ' 42' ' ' PHE . 4.1 tttt -79.43 -56.24 4.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.38 -51.57 59.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.629 ' CE1' HG23 ' A' ' 67' ' ' ILE . 1.9 t80 -49.08 -44.13 41.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.564 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -75.05 -36.88 61.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.68 -16.17 9.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.597 1.186 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' ARG . 8.6 t -87.93 -68.43 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.016 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.829 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -39.55 -33.63 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.786 ' HA2' HG11 ' A' ' 38' ' ' VAL . . . -74.38 -48.53 13.94 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.488 1.117 . . . . 0.0 110.941 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 26' ' ' SER . 3.0 ptt180 -67.09 -28.97 68.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 0.768 . . . . 0.0 110.303 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -61.08 -39.61 90.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.854 ' HB ' HG21 ' A' ' 38' ' ' VAL . 74.6 t -72.26 -26.89 25.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -74.02 -32.21 63.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.296 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -60.25 -17.3 40.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 31' ' ' VAL . 1.1 mt -91.83 -10.92 38.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.37 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.74 25.76 12.83 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.126 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.537 ' O ' HG23 ' A' ' 38' ' ' VAL . 97.0 mtp -109.49 135.72 50.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 0.766 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.9 t -65.74 121.98 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.854 HG21 ' HB ' ' A' ' 31' ' ' VAL . 36.6 t -129.07 148.7 33.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.44 174.84 10.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.508 HD23 ' CZ ' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -129.64 121.57 27.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.287 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 34.9 mt -107.92 102.1 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.508 ' CZ ' HD23 ' A' ' 40' ' ' LEU . 45.8 m-85 -86.88 132.49 33.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.611 HD12 HG12 ' A' ' 16' ' ' VAL . 0.5 OUTLIER -126.85 146.33 50.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -174.99 118.33 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 27.3 m 39.05 32.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.396 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -121.41 -67.1 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.298 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.537 HG23 HD22 ' A' ' 43' ' ' LEU . 34.0 m -138.04 175.06 9.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.7 t -100.85 160.68 14.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.998 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.7 HD23 HG21 ' A' ' 14' ' ' ILE . 0.5 OUTLIER -43.75 -64.33 0.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -41.73 -50.77 4.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.022 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -42.08 -35.66 0.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.816 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -83.22 -40.78 19.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.273 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.477 ' HG ' HD22 ' A' ' 49' ' ' LEU . 36.3 mt -59.46 -42.81 92.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -59.31 -33.5 71.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -81.89 -30.33 31.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.861 HG11 ' HB2' ' A' ' 64' ' ' ALA . 64.7 t -60.38 -42.64 91.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.78 -61.3 1.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.435 ' CG ' ' N ' ' A' ' 59' ' ' GLY . 5.9 ptt180 -54.28 -37.81 65.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.435 ' N ' ' CG ' ' A' ' 58' ' ' ARG . . . -62.02 -32.0 80.67 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 61' ' ' SER . . . 117.94 -25.67 8.29 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.523 ' CB ' HG13 ' A' ' 56' ' ' VAL . 0.4 OUTLIER -38.85 116.41 0.97 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.462 0.742 . . . . 0.0 109.973 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.561 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 18.3 Cg_endo -75.04 -42.68 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.494 1.786 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.6 m-30 -117.04 146.98 42.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.861 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -141.58 122.87 14.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 19.8 mt -95.2 139.36 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.341 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.532 HG22 HD11 ' A' ' 49' ' ' LEU . 1.0 OUTLIER -103.99 127.55 58.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.829 HD11 HG11 ' A' ' 27' ' ' VAL . 5.0 mm -124.06 150.9 28.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.481 HG22 ' ND1' ' A' ' 71' ' ' HIS . 2.0 t -175.46 163.09 2.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.366 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.16 -54.83 18.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.577 ' HA ' HD12 ' A' ' 73' ' ' ILE . 20.1 tt0 -55.9 -30.13 61.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.342 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.514 ' CE1' ' CG1' ' A' ' 66' ' ' VAL . 9.6 m170 -77.73 -17.9 57.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.62 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.544 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 8.5 tt0 -78.73 -30.98 46.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.323 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.577 HD12 ' HA ' ' A' ' 70' ' ' GLN . 18.9 mt -69.79 -50.85 45.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -79.12 -15.36 58.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.135 . . . . 0.0 109.601 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 61.88 32.01 18.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 82.5 p -129.26 149.96 50.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 110.012 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.514 ' HB3' HD13 ' A' ' 67' ' ' ILE . 1.8 p -123.57 173.79 7.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 108.3 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.635 HG23 ' O ' ' A' ' 89' ' ' HIS . 8.8 m -111.02 120.73 43.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.094 . . . . 0.0 110.427 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.903 HG11 HD21 ' A' ' 100' ' ' LEU . 59.2 t -90.43 129.66 40.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -131.58 124.32 29.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.644 HD12 ' CB ' ' A' ' 87' ' ' GLN . 14.8 mt -91.44 148.24 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 62' ' ' PRO . 5.8 mmt -116.8 -29.24 6.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 111.051 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.642 ' CD2' HG23 ' A' ' 81' ' ' ILE . 2.5 p90 -70.85 178.44 3.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.48 ' N ' ' CD1' ' A' ' 83' ' ' PHE . . . -38.99 159.47 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.5 m 59.72 114.0 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.477 0.751 . . . . 0.0 110.377 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 129.43 12.33 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.487 1.782 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.644 ' CB ' HD12 ' A' ' 81' ' ' ILE . 3.6 mm100 -145.85 120.37 9.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -133.23 121.95 23.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.321 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.635 ' O ' HG23 ' A' ' 78' ' ' THR . 74.8 m-70 -118.22 122.5 43.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.612 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.7 mtm180 -94.02 137.99 32.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 41.36 85.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.487 ' SD ' ' CB ' ' A' ' 89' ' ' HIS . 5.7 mtp -112.86 142.91 28.06 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.416 ' HG2' ' CB ' ' A' ' 96' ' ' ASP . 18.4 Cg_endo -75.06 131.37 14.15 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.496 1.787 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.515 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 0.0 OUTLIER -37.71 -63.77 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -41.34 -70.07 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.416 ' CB ' ' HG2' ' A' ' 93' ' ' PRO . 49.7 t0 -47.38 -44.21 24.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 94' ' ' GLN . . . -55.88 -43.25 77.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.406 ' O ' HG12 ' A' ' 101' ' ' VAL . 32.6 mmt -64.7 -24.56 67.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.489 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.4 OUTLIER -86.47 -45.34 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.903 HD21 HG11 ' A' ' 79' ' ' VAL . 0.1 OUTLIER -60.76 -29.61 69.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.494 HG22 ' HE1' ' A' ' 36' ' ' MET . 0.8 OUTLIER -83.73 -47.38 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.468 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -64.09 -17.02 63.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.489 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 8.6 mmm180 -92.99 -63.14 1.25 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -49.62 -54.99 15.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.487 ' CZ ' ' HE2' ' A' ' 109' ' ' LYS . 8.5 t80 -39.2 -52.94 1.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.956 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -48.82 -54.42 15.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.342 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 110' ' ' ASN . 0.0 OUTLIER -62.6 -63.22 1.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.349 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.561 ' CE1' ' HB3' ' A' ' 62' ' ' PRO . 1.9 t80 -39.42 -40.89 0.88 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.487 ' HE2' ' CZ ' ' A' ' 105' ' ' TYR . 2.8 mtmt -65.48 -48.1 73.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 107' ' ' ARG . 39.3 m-20 -46.53 -33.62 4.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -91.65 -27.08 18.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 109' ' ' LYS . 8.5 t -59.34 -68.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 108.312 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.23 -45.49 2.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.33 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.99 83.44 5.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.95 -171.06 2.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -57.74 167.76 1.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 116' ' ' GLU . 23.2 mtm180 -35.44 108.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 110.316 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -41.12 158.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.265 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.84 37.57 1.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.331 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.477 HD13 ' HA ' ' A' ' 120' ' ' ILE . 7.2 mm -40.63 117.86 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -159.15 164.6 35.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -79.04 121.97 25.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.451 ' O ' ' HB3' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -133.9 151.78 51.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.29 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 123' ' ' GLN . . . 68.67 115.86 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.76 106.91 16.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.008 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 74.84 115.98 0.09 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.492 1.12 . . . . 0.0 110.955 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 68.76 5.69 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.493 1.786 . . . . 0.0 111.033 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 47.4 t -168.2 154.18 7.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.142 . . . . 0.0 109.973 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 9.8 p -164.88 119.81 1.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.975 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 179.969 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 p -176.9 147.99 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 110.017 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.62 -58.76 4.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.9 67.35 0.29 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.518 1.136 . . . . 0.0 110.955 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 49.59 96.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.418 0.716 . . . . 0.0 109.964 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.91 -51.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.981 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.1 156.56 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 147.48 33.87 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.439 1.758 . . . . 0.0 111.013 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 62.4 t -127.04 119.41 52.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -42.98 -45.97 5.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.65 ' O ' HG13 ' A' ' 38' ' ' VAL . 14.1 t -149.03 108.64 4.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 108.331 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.0 135.22 36.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.037 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.435 ' CG1' HG13 ' A' ' 67' ' ' ILE . 75.8 t -92.91 125.67 45.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.662 HG21 ' CD2' ' A' ' 49' ' ' LEU . 1.8 mm -105.57 109.23 27.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.1 p -117.84 101.84 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.667 HG12 HD12 ' A' ' 43' ' ' LEU . 30.4 m -75.51 -37.33 37.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.55 126.12 29.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tptp -85.68 49.46 1.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -142.12 -49.66 0.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.478 HG21 ' HB2' ' A' ' 72' ' ' GLN . 1.2 p -69.72 60.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.433 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -81.96 -68.38 0.7 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -47.83 -55.62 9.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.562 ' HE1' HG23 ' A' ' 67' ' ' ILE . 29.3 t80 -51.59 -62.04 1.87 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.576 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -52.18 -41.62 62.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.875 ' CG ' HD22 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -63.02 -11.64 20.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.353 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 29' ' ' ARG . 2.8 t -87.3 -68.47 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.004 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.622 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -47.93 -28.91 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.544 ' O ' HG11 ' A' ' 38' ' ' VAL . . . -75.22 -33.9 52.8 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.461 1.101 . . . . 0.0 111.03 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 26' ' ' SER . 12.3 ptt180 -81.87 -31.01 31.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 110.318 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -59.57 -31.54 69.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.968 ' HB ' HG21 ' A' ' 38' ' ' VAL . 94.3 t -76.04 -27.42 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -74.04 -31.99 63.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.267 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -60.56 -19.28 56.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.545 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.6 OUTLIER -89.1 -11.01 45.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.72 23.69 17.7 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.454 1.096 . . . . 0.0 111.001 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.479 ' HB2' HG12 ' A' ' 31' ' ' VAL . 96.3 mtp -107.33 133.3 52.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.757 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 19.7 t -65.68 117.47 6.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.968 HG21 ' HB ' ' A' ' 31' ' ' VAL . 61.3 t -129.72 148.14 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -140.4 167.91 21.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.875 HD22 ' CG ' ' A' ' 25' ' ' GLU . 0.8 OUTLIER -115.38 127.94 55.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.1 mt -113.84 108.81 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -93.32 132.7 37.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.667 HD12 HG12 ' A' ' 16' ' ' VAL . 11.9 mt -122.62 -138.47 0.31 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.458 ' O ' ' CB ' ' A' ' 45' ' ' THR . 1.7 t-20 78.14 108.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.364 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.458 ' CB ' ' O ' ' A' ' 44' ' ' ASN . 2.8 m 80.29 -52.89 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 110.415 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -45.94 -70.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.329 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.447 HG11 ' HG2' ' A' ' 51' ' ' GLN . 1.3 t -145.05 -143.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.359 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 63.0 m -122.28 177.11 5.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.972 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.662 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.9 OUTLIER -63.91 -58.93 5.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.274 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 53' ' ' LEU . 94.0 p -38.44 -54.2 1.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.997 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.447 ' HG2' HG11 ' A' ' 47' ' ' VAL . 4.3 tp60 -39.77 -42.78 1.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.91 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -77.35 -42.63 35.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.488 ' HG ' HD22 ' A' ' 49' ' ' LEU . 45.3 mt -57.95 -32.58 67.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -66.01 -47.38 74.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.443 ' OD1' ' NH1' ' A' ' 58' ' ' ARG . 5.7 t70 -70.36 -20.07 63.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.91 HG23 ' O ' ' A' ' 52' ' ' ALA . 70.0 t -71.14 -40.67 75.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -50.67 8.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.994 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.443 ' NH1' ' OD1' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -64.23 -36.54 84.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.416 ' N ' ' HG2' ' A' ' 58' ' ' ARG . . . -66.66 -29.53 74.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.562 1.164 . . . . 0.0 111.031 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.35 -19.95 11.45 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.754 ' HB3' HG13 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -43.72 111.03 1.04 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.53 0.782 . . . . 0.0 109.978 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.427 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.3 Cg_endo -74.99 -37.5 2.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.536 1.808 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.456 ' CD1' HG12 ' A' ' 81' ' ' ILE . 9.9 m-30 -115.61 146.32 41.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.798 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -137.9 124.42 20.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.6 mt -101.52 133.89 43.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.699 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 0.8 OUTLIER -101.26 134.32 41.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.622 HD11 HG11 ' A' ' 27' ' ' VAL . 4.1 mm -127.82 153.82 37.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.524 HG23 ' N ' ' A' ' 69' ' ' GLN . 0.5 OUTLIER 178.42 175.04 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.389 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.524 ' N ' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -45.08 -64.56 0.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -50.85 -65.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.316 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.699 ' CE1' ' CG1' ' A' ' 66' ' ' VAL . 38.4 m80 -39.2 -39.8 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.606 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.506 ' HA ' ' CZ ' ' A' ' 23' ' ' TYR . 4.1 tt0 -65.48 -51.83 57.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.339 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.4 mt -59.53 -52.95 54.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -73.05 -5.24 37.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.644 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.0 mmt-85 52.88 23.44 2.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 71' ' ' HIS . 54.1 p -122.82 139.45 54.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 110.044 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 2.7 p -116.18 172.12 7.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 108.27 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 29.4 m -108.13 114.71 28.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 110.411 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.555 HG11 HD21 ' A' ' 100' ' ' LEU . 59.2 t -89.9 129.18 41.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 61.1 m-20 -133.7 113.39 12.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.456 HG12 ' CD1' ' A' ' 63' ' ' PHE . 19.6 mt -79.13 149.96 5.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.427 ' N ' ' O ' ' A' ' 62' ' ' PRO . 10.3 mmt -114.46 -24.14 8.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -101.5 153.72 19.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 110.999 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 50.72 -166.86 0.52 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 84' ' ' GLY . 40.3 m -38.27 118.42 0.99 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 110.403 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 102.86 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.481 1.78 . . . . 0.0 110.972 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.587 ' OE1' ' CE1' ' A' ' 89' ' ' HIS . 2.6 mm-40 -109.91 110.73 21.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.352 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -97.5 100.69 12.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.587 ' CE1' ' OE1' ' A' ' 87' ' ' GLN . 96.3 m-70 -91.83 114.72 27.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.582 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 29.8 mtt85 -93.79 138.39 32.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.331 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 48.39 88.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.422 ' CE ' ' OD1' ' A' ' 96' ' ' ASP . 10.1 mtp -121.97 138.3 28.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 92' ' ' MET . 18.3 Cg_endo -74.98 134.4 17.8 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.496 1.787 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.489 ' CG ' HG23 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -38.37 -63.04 0.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -38.4 -72.86 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.422 ' OD1' ' CE ' ' A' ' 92' ' ' MET . 8.5 t70 -44.77 -53.66 7.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.353 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 94' ' ' GLN . . . -47.58 -49.58 26.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 35.6 mmt -60.3 -24.84 65.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.963 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.424 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.5 OUTLIER -86.54 -47.72 16.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.555 HD21 HG11 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -60.23 -28.5 68.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.494 ' O ' ' CB ' ' A' ' 105' ' ' TYR . 0.8 OUTLIER -84.51 -49.11 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.493 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -63.08 -27.17 69.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.424 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 6.9 mmm180 -81.42 -65.05 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.416 ' ND2' ' O ' ' A' ' 100' ' ' LEU . 5.5 m-80 -49.48 -45.43 46.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.529 ' CE1' ' HD3' ' A' ' 109' ' ' LYS . 12.8 t80 -50.45 -52.88 34.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.951 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -51.58 -51.2 57.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -60.13 4.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -46.32 -44.7 16.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.529 ' HD3' ' CE1' ' A' ' 105' ' ' TYR . 1.2 ttpp -63.79 -47.84 79.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 -47.99 -33.28 7.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -93.67 -25.6 17.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 9.3 t -69.29 -54.73 13.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 108.267 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -43.78 -58.63 2.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 69.68 162.28 0.22 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.548 1.155 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -43.56 165.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.355 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 65.63 151.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.28 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.9 106.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -45.49 170.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -119.68 39.07 3.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 3.6 mt -41.02 142.92 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.105 . . . . 0.0 109.252 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -165.8 167.36 17.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.38 136.42 46.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.334 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -179.05 87.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -174.97 136.83 0.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.02 157.1 44.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.972 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -126.06 143.01 14.12 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -59.22 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.518 1.799 . . . . 0.0 111.037 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 12.0 m -128.83 176.78 7.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.996 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.2 m -108.03 167.94 9.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.947 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -179.24 123.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 0.746 . . . . 0.0 110.027 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -146.65 133.54 20.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 0.0 109.967 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.08 70.27 2.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -175.05 99.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 0.737 . . . . 0.0 109.962 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.9 m -133.63 95.05 3.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.99 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.9 156.89 26.98 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.539 1.149 . . . . 0.0 110.967 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 125.62 9.4 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.439 1.758 . . . . 0.0 110.962 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.422 HG12 ' C ' ' A' ' 11' ' ' CYS . 55.2 t -131.7 116.49 31.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.16 -46.18 5.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.488 ' O ' HG13 ' A' ' 38' ' ' VAL . 34.8 t -144.0 107.55 4.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 108.249 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.98 127.03 40.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 109.996 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.472 HG21 ' CA ' ' A' ' 28' ' ' GLY . 89.8 t -86.8 121.23 37.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.736 HG21 ' CD2' ' A' ' 49' ' ' LEU . 2.6 mm -98.18 113.53 33.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.564 HG22 ' O ' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -128.73 95.92 2.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.1 m -65.75 -44.44 93.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.564 ' O ' HG22 ' A' ' 15' ' ' VAL . 2.2 t-20 -76.49 170.9 15.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.59 -29.02 8.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -50.65 -42.07 56.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.265 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.3 p -83.33 49.41 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.395 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -86.17 -50.54 6.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.252 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -75.94 -17.53 59.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.445 ' CE1' HG23 ' A' ' 67' ' ' ILE . 37.4 t80 -84.96 -63.94 1.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 111.044 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.709 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -51.81 -33.65 36.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.807 ' HG2' HD22 ' A' ' 40' ' ' LEU . 5.7 mt-10 -63.12 -12.19 25.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 29' ' ' ARG . 24.5 t -89.15 -68.95 0.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.989 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.628 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -46.75 -26.78 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.715 ' O ' HG11 ' A' ' 38' ' ' VAL . . . -75.19 -37.23 43.15 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.45 1.094 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.4 ptt-85 -81.88 -28.34 32.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 110.33 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -59.5 -34.98 73.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.886 ' HB ' HG21 ' A' ' 38' ' ' VAL . 74.7 t -74.65 -26.37 19.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 -74.67 -31.35 61.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -61.27 -15.44 35.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.6 OUTLIER -94.21 -11.77 29.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.65 30.36 7.67 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.135 . . . . 0.0 111.065 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.525 ' O ' HG23 ' A' ' 38' ' ' VAL . 95.6 mtp -114.67 136.2 53.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 0.779 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 49.7 t -66.39 120.63 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.886 HG21 ' HB ' ' A' ' 31' ' ' VAL . 35.9 t -128.85 152.5 37.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -146.47 167.48 23.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.807 HD22 ' HG2' ' A' ' 25' ' ' GLU . 1.5 mp -116.96 128.97 55.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.9 mt -113.4 102.89 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.448 ' CZ ' HD23 ' A' ' 40' ' ' LEU . 48.4 m-85 -93.31 114.69 27.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.1 63.07 0.62 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -73.12 97.47 2.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.52 HG22 ' O ' ' A' ' 45' ' ' THR . 61.6 m 55.6 33.31 20.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.36 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -88.66 -92.09 0.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.262 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.67 HG11 ' HG3' ' A' ' 51' ' ' GLN . 1.3 t -127.9 -144.24 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.4 ' H ' HG12 ' A' ' 47' ' ' VAL . 13.1 m -108.4 157.16 18.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.997 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.736 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.8 OUTLIER -48.82 -58.83 4.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 53' ' ' LEU . 96.3 p -39.46 -55.04 1.86 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.004 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.67 ' HG3' HG11 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -39.3 -41.78 0.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 110.279 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.748 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -76.64 -43.02 39.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.445 ' HG ' HD22 ' A' ' 49' ' ' LEU . 51.2 mt -58.9 -28.89 66.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -70.81 -47.95 56.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -67.71 -23.3 65.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.824 HG11 ' HB2' ' A' ' 64' ' ' ALA . 36.7 t -62.68 -56.6 16.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.43 -60.9 2.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.0 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.421 ' HG2' ' N ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -52.24 -41.52 62.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.421 ' N ' ' HG2' ' A' ' 58' ' ' ARG . . . -64.59 -26.63 71.03 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.518 1.136 . . . . 0.0 110.972 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.88 -33.36 4.62 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.7 ' HB3' HG13 ' A' ' 56' ' ' VAL . 1.1 m -39.07 107.29 0.42 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.552 0.795 . . . . 0.0 109.985 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.429 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.3 Cg_endo -75.0 -34.75 3.58 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.48 1.779 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.571 ' CE1' HG12 ' A' ' 81' ' ' ILE . 15.6 m-30 -115.58 137.83 51.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.824 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -132.08 123.04 26.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.472 HG23 ' HB2' ' A' ' 77' ' ' CYS . 22.7 mt -95.41 134.33 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.555 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 0.5 OUTLIER -99.03 132.41 44.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.709 HG21 ' HB2' ' A' ' 24' ' ' ALA . 4.1 mm -128.89 149.37 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.53 HG22 ' ND1' ' A' ' 71' ' ' HIS . 5.2 t -174.49 155.71 2.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 110.376 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -38.52 -65.27 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.282 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.798 ' HA ' HD12 ' A' ' 73' ' ' ILE . 1.3 tp60 -44.06 -61.19 1.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.555 ' CE1' ' CG1' ' A' ' 66' ' ' VAL . 8.9 m170 -41.91 -55.18 3.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.608 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.437 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 3.9 tt0 -39.09 -45.22 1.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.26 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.798 HD12 ' HA ' ' A' ' 70' ' ' GLN . 16.6 mt -57.95 -54.78 27.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 39.2 m-70 -74.58 -2.91 28.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.634 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.482 ' N ' ' O ' ' A' ' 71' ' ' HIS . 0.0 OUTLIER 49.07 23.1 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.326 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.69 159.11 22.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.997 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.472 ' HB2' HG23 ' A' ' 65' ' ' ILE . 3.6 p -133.45 175.36 9.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 108.298 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.7 m -113.43 112.9 24.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 110.407 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 61.3 t -90.18 113.63 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -116.59 116.72 28.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.571 HG12 ' CE1' ' A' ' 63' ' ' PHE . 47.1 mt -79.52 149.67 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.429 ' N ' ' O ' ' A' ' 62' ' ' PRO . 9.6 mmt -114.64 -23.72 9.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.419 ' O ' ' CG2' ' A' ' 81' ' ' ILE . 0.5 OUTLIER -105.93 152.89 22.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.04 -171.74 34.84 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.762 HG23 ' HD2' ' A' ' 86' ' ' PRO . 2.5 m -40.49 146.56 0.43 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 110.407 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.762 ' HD2' HG23 ' A' ' 85' ' ' THR . 18.3 Cg_endo -75.03 91.05 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.481 1.779 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.61 114.47 28.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.329 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -113.83 113.45 24.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.31 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -100.37 119.45 38.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.61 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.7 mtt-85 -107.44 134.76 50.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 57.74 90.41 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.418 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 22.1 mmm -133.7 136.48 26.78 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 92' ' ' MET . 18.3 Cg_endo -75.01 144.39 30.13 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.449 1.763 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.499 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 0.0 OUTLIER -37.97 -70.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 98' ' ' MET . . . -37.81 -70.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -42.28 -46.15 4.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 94' ' ' GLN . . . -60.0 -43.26 95.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -66.21 -28.96 69.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -82.57 -44.66 19.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.35 -30.52 71.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.8 OUTLIER -83.87 -48.04 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.475 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -61.42 -34.66 75.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.3 mmm180 -73.9 -59.47 2.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 110.326 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -54.3 -49.63 69.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.506 ' CE1' ' HD3' ' A' ' 109' ' ' LYS . 17.2 t80 -46.32 -53.22 11.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -42.36 -54.78 3.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 110.329 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 110' ' ' ASN . 0.0 OUTLIER -64.37 -56.22 15.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.27 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -39.51 -39.78 0.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.958 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.506 ' HD3' ' CE1' ' A' ' 105' ' ' TYR . 0.2 OUTLIER -67.56 -48.29 67.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 107' ' ' ARG . 20.0 m-20 -47.55 -34.56 7.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -93.59 -24.28 17.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 34.4 t -60.32 -56.64 19.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.135 . . . . 0.0 108.288 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.26 -55.08 3.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -77.17 92.74 3.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.1 -178.13 7.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -115.79 131.96 56.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 58.9 114.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 110.323 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -43.32 152.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.241 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.47 -8.69 49.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.595 HG22 ' N ' ' A' ' 121' ' ' ALA . 9.2 mt -105.13 -113.87 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.595 ' N ' HG22 ' A' ' 120' ' ' ILE . . . 41.87 68.56 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -48.44 113.76 0.82 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.56 169.82 8.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.23 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -48.7 153.04 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 57.8 p -176.04 92.91 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.978 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -135.34 100.77 0.37 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 101.15 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.557 1.819 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.65 164.83 25.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.037 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.01 -55.23 3.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.001 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.05 106.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 109.992 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 55.74 177.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.022 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.2 176.1 31.69 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.482 1.113 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -45.13 143.12 1.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 0.747 . . . . 0.0 110.013 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.9 m -44.07 104.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.954 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.02 163.82 30.98 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.441 1.088 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 150.54 38.29 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.491 1.785 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.417 ' CG1' ' N ' ' A' ' 10' ' ' ASP . 9.7 t -119.55 159.37 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.417 ' N ' ' CG1' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -91.0 -43.86 9.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.564 ' O ' HG13 ' A' ' 38' ' ' VAL . 0.6 OUTLIER -142.03 111.99 6.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 108.247 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.46 131.21 36.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.032 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.554 HG21 ' CA ' ' A' ' 28' ' ' GLY . 44.9 t -92.29 124.94 44.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.679 HG21 ' CD2' ' A' ' 49' ' ' LEU . 2.3 mm -110.25 111.02 34.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.61 106.63 20.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.017 HG12 HD12 ' A' ' 43' ' ' LEU . 9.6 m -91.64 -32.52 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.656 ' OD1' HG23 ' A' ' 20' ' ' THR . 12.8 t-20 -51.32 164.41 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.459 ' N ' ' CG ' ' A' ' 17' ' ' ASN . 8.4 tptt -69.72 -81.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -94.87 100.03 11.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.656 HG23 ' OD1' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -152.62 23.51 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.409 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.562 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 8.0 ttmt -70.94 -62.87 1.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -44.4 -39.0 4.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.673 ' HE2' HD12 ' A' ' 67' ' ' ILE . 44.7 t80 -75.02 -65.18 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.22 -49.0 23.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.831 ' HG2' HD22 ' A' ' 40' ' ' LEU . 53.2 mt-10 -50.9 -21.29 1.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 29' ' ' ARG . 5.0 t -83.45 -68.22 0.73 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.036 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.823 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -49.6 -26.96 2.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.647 ' O ' HG11 ' A' ' 38' ' ' VAL . . . -75.58 -26.66 64.86 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -91.07 -35.14 14.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 110.312 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.87 -39.15 24.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.969 ' HB ' HG21 ' A' ' 38' ' ' VAL . 60.6 t -72.38 -29.53 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 29' ' ' ARG . 30.8 mtp180 -71.88 -31.77 66.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.336 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -59.88 -19.41 51.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.7 OUTLIER -89.84 -11.62 41.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.11 25.57 12.57 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.125 . . . . 0.0 110.995 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.459 ' HB2' HG12 ' A' ' 31' ' ' VAL . 89.8 mtp -108.74 136.69 47.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 0.772 . . . . 0.0 110.991 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.6 t -66.62 126.85 26.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.969 HG21 ' HB ' ' A' ' 31' ' ' VAL . 96.4 t -136.59 149.19 26.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -135.34 168.09 19.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.831 HD22 ' HG2' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -121.08 126.22 49.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.5 mt -114.48 114.05 45.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.562 ' CE1' ' HB2' ' A' ' 21' ' ' LYS . 47.7 m-85 -103.16 121.33 42.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 1.017 HD12 HG12 ' A' ' 16' ' ' VAL . 80.5 mt -89.41 -72.33 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 45' ' ' THR . 1.6 t-20 55.63 91.41 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 44' ' ' ASN . 16.5 p 38.61 63.9 0.82 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 0.0 110.445 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -122.99 -75.55 0.6 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.539 HG11 ' HG2' ' A' ' 51' ' ' GLN . 1.6 t -140.54 -145.23 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.513 ' H ' HG12 ' A' ' 47' ' ' VAL . 11.2 t -112.14 150.19 31.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 110.016 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.679 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.9 OUTLIER -40.47 -57.81 1.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 53' ' ' LEU . 94.6 p -39.24 -55.29 1.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.015 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.539 ' HG2' HG11 ' A' ' 47' ' ' VAL . 1.6 tp60 -39.14 -39.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . -80.33 -43.32 21.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.507 ' HG ' HD22 ' A' ' 49' ' ' LEU . 68.2 mt -57.92 -32.68 67.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -67.52 -39.17 85.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.85 -26.16 62.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.686 HG13 ' HB3' ' A' ' 61' ' ' SER . 15.5 t -64.3 -72.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -45.06 -63.92 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.01 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.425 ' HG2' ' N ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER -52.92 -37.96 61.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.425 ' N ' ' HG2' ' A' ' 58' ' ' ARG . . . -66.25 -22.86 71.27 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.491 1.12 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 114.44 -33.53 5.35 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.686 ' HB3' HG13 ' A' ' 56' ' ' VAL . 0.4 OUTLIER -39.47 112.87 0.8 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.543 0.79 . . . . 0.0 110.029 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -39.34 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.561 1.821 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.568 ' CE1' HG12 ' A' ' 81' ' ' ILE . 14.4 m-30 -113.76 147.05 38.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.123 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.531 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -137.05 125.76 23.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.355 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.6 mt -95.33 129.85 44.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.602 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 1.2 t -95.31 123.18 47.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.823 HD11 HG11 ' A' ' 27' ' ' VAL . 6.4 mm -122.55 157.46 27.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.602 HG22 ' ND1' ' A' ' 71' ' ' HIS . 11.0 t -174.09 -158.42 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.419 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.486 ' N ' HG23 ' A' ' 68' ' ' THR . 2.7 tt0 -73.66 -63.44 1.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' A' ' 73' ' ' ILE . 0.0 OUTLIER -54.02 -54.43 39.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.278 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.602 ' CE1' ' CG1' ' A' ' 66' ' ' VAL . 27.9 m170 -43.94 -32.39 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.639 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.439 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 1.4 tt0 -74.71 -44.21 51.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.264 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 70' ' ' GLN . 64.5 mt -61.19 -47.22 94.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -85.47 -10.1 56.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.61 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 71' ' ' HIS . 0.0 OUTLIER 58.04 30.67 19.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.459 ' O ' ' CD2' ' A' ' 71' ' ' HIS . 57.5 p -123.91 137.46 54.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.031 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.604 ' HB3' HD13 ' A' ' 67' ' ' ILE . 1.5 p -120.05 174.3 6.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 108.281 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.841 HG23 ' O ' ' A' ' 89' ' ' HIS . 7.0 m -113.25 116.78 30.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 110.437 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.0 t -90.41 119.59 37.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -117.64 120.73 38.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.568 HG12 ' CE1' ' A' ' 63' ' ' PHE . 37.1 mt -83.45 143.09 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.0 mmt -107.01 -28.76 9.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.593 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -95.89 149.78 21.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.958 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.04 -169.64 38.79 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.732 HG23 ' HD2' ' A' ' 86' ' ' PRO . 2.4 m -43.17 146.5 0.82 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 110.406 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.732 ' HD2' HG23 ' A' ' 85' ' ' THR . 18.3 Cg_endo -75.04 99.12 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.529 1.805 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -112.68 115.95 29.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -112.7 107.12 15.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.841 ' O ' HG23 ' A' ' 78' ' ' THR . 63.1 m-70 -94.47 110.57 22.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.639 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 45.6 mtp180 -101.56 135.58 42.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.8 m120 58.57 92.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 11.2 mmm -141.66 137.21 16.07 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.542 1.152 . . . . 0.0 110.939 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 148.6 35.53 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.476 1.777 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.421 ' NE2' ' CG2' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -49.8 -65.88 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.348 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -39.08 -42.41 0.91 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 99' ' ' VAL . 0.4 OUTLIER -71.08 -56.61 5.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -49.38 -28.36 4.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.457 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 29.7 mmt -73.81 -30.18 62.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.445 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.3 OUTLIER -80.92 -41.77 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.42 ' O ' ' ND2' ' A' ' 104' ' ' ASN . 0.1 OUTLIER -65.07 -28.67 69.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.501 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.6 OUTLIER -88.63 -49.85 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.501 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -58.76 -36.5 74.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.445 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 2.2 mmt85 -73.19 -71.3 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 100' ' ' LEU . 7.0 m-80 -41.88 -57.62 2.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.481 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 13.6 t80 -38.13 -58.12 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -42.39 -56.85 2.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -55.68 25.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -40.52 -48.38 2.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.98 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 112' ' ' CYS . 3.7 mtmt -59.35 -48.63 80.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -46.17 -34.63 4.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -93.27 -25.3 17.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . 0.4 ' N ' ' O ' ' A' ' 109' ' ' LYS . 7.0 t -63.4 -52.32 62.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 108.286 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -42.79 -53.76 4.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 0.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -54.7 102.22 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.23 178.27 2.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.5 -57.13 9.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.25 13.22 5.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.34 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -39.3 155.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.325 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -111.92 37.37 2.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 71.7 mt -109.42 115.27 49.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -173.49 96.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.64 166.89 10.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.425 1.078 . . . . 0.0 110.331 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -140.52 -57.74 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . 62.05 71.62 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 9.8 t 63.05 140.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.011 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -146.27 116.0 0.84 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.478 1.111 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 129.41 12.29 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.444 1.76 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.11 90.84 4.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.967 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 92.9 p -149.55 81.46 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.036 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.6 t -177.59 137.63 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 0.784 . . . . 0.0 109.995 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.5 t -152.9 159.51 42.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.595 1.184 . . . . 0.0 109.994 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.99 -139.44 10.37 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.556 1.16 . . . . 0.0 110.978 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 56.37 81.27 0.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.553 0.796 . . . . 0.0 110.002 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -126.24 102.98 7.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.579 1.175 . . . . 0.0 110.01 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.25 -162.71 34.77 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.537 1.148 . . . . 0.0 110.964 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 159.64 41.27 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 110.985 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.8 t -124.08 128.48 74.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.84 -45.8 71.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.348 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 t -141.74 107.61 5.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 108.266 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.11 125.21 36.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 110.039 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.424 ' CG1' HG13 ' A' ' 67' ' ' ILE . 62.5 t -88.62 115.36 28.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.717 HG21 ' CD2' ' A' ' 49' ' ' LEU . 3.9 mm -93.89 112.11 26.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 17' ' ' ASN . 0.9 OUTLIER -126.07 95.8 3.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.667 HG12 HD12 ' A' ' 43' ' ' LEU . 5.9 m -72.42 -29.91 32.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.499 ' O ' ' CG2' ' A' ' 15' ' ' VAL . 14.2 m-80 -95.26 122.14 37.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -66.09 -40.26 90.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.5 -41.75 1.5 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.344 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.427 ' CG2' ' HB2' ' A' ' 72' ' ' GLN . 1.3 p -88.61 65.09 7.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.388 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -90.52 -54.56 3.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -65.79 -56.24 12.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.498 ' CE2' ' HA ' ' A' ' 72' ' ' GLN . 4.7 t80 -42.39 -49.61 5.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.701 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -70.27 -41.68 73.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.15 -21.61 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 29' ' ' ARG . 5.6 t -84.51 -67.79 0.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 109.978 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.658 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -39.14 -32.76 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.815 ' HA2' HG11 ' A' ' 38' ' ' VAL . . . -73.82 -49.64 13.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 26' ' ' SER . 2.1 ptm180 -64.82 -26.74 68.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -63.69 -42.72 97.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.269 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.711 ' HB ' HG21 ' A' ' 38' ' ' VAL . 60.1 t -70.5 -25.99 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 0.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.406 ' HG2' HG23 ' A' ' 38' ' ' VAL . 7.7 mtm180 -74.99 -34.83 62.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -59.22 -17.98 32.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.582 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.9 OUTLIER -90.49 -10.55 43.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.15 31.37 8.09 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.529 1.143 . . . . 0.0 110.966 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.605 ' SD ' ' CE1' ' A' ' 105' ' ' TYR . 32.4 mmm -116.61 139.03 50.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 0.734 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.2 t -67.34 128.37 30.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.815 HG11 ' HA2' ' A' ' 28' ' ' GLY . 23.6 t -131.72 148.09 32.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -139.02 167.53 21.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -123.62 125.37 44.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.0 mt -110.85 106.06 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -92.1 116.0 28.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.667 HD12 HG12 ' A' ' 16' ' ' VAL . 0.7 OUTLIER -115.81 73.4 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -56.16 -42.83 77.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.5 m -156.73 -47.28 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.423 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.658 ' O ' HG22 ' A' ' 47' ' ' VAL . 12.8 mt-10 -43.71 135.15 4.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.103 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.658 HG22 ' O ' ' A' ' 46' ' ' GLU . 9.2 m 47.98 -159.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 55.4 m -144.29 -176.04 4.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.993 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.717 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.4 OUTLIER -57.3 -59.71 4.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 53' ' ' LEU . 78.9 p -45.52 -56.14 5.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.94 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -43.84 -36.56 2.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.268 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.934 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -79.11 -37.88 37.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.538 ' HG ' HD22 ' A' ' 49' ' ' LEU . 33.4 mt -59.16 -29.7 67.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -71.89 -55.11 8.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.429 ' HA ' ' CG ' ' A' ' 58' ' ' ARG . 2.0 t70 -59.63 -23.45 63.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.934 HG23 ' O ' ' A' ' 52' ' ' ALA . 41.6 t -64.59 -65.03 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.8 t -66.53 -55.56 14.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.021 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.445 ' CD ' ' C ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -51.67 -26.05 8.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.428 ' N ' ' HG3' ' A' ' 58' ' ' ARG . . . -83.43 -32.12 25.97 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 129.9 -29.31 3.76 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.549 ' HB2' HG13 ' A' ' 56' ' ' VAL . 73.9 m -38.79 113.35 0.76 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 0.78 . . . . 0.0 110.04 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.2 Cg_endo -75.02 -45.66 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.78 . . . . 0.0 110.968 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.493 ' CE1' HG12 ' A' ' 81' ' ' ILE . 11.8 m-30 -113.95 143.82 44.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.624 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -140.22 124.67 17.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 49.5 mt -95.72 142.26 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.553 ' CG2' HD11 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -104.8 128.5 58.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.701 HG21 ' HB2' ' A' ' 24' ' ' ALA . 4.3 mm -125.49 147.92 30.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.337 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.508 HG22 ' ND1' ' A' ' 71' ' ' HIS . 5.4 t -173.77 160.56 3.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.374 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.86 -60.58 2.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.663 ' HA ' HD12 ' A' ' 73' ' ' ILE . 6.1 tt0 -46.33 -47.84 18.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.333 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.53 ' CE1' ' CG1' ' A' ' 66' ' ' VAL . 9.1 m170 -59.3 -39.82 84.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.598 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.498 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 12.0 tt0 -56.16 -21.0 20.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.663 HD12 ' HA ' ' A' ' 70' ' ' GLN . 18.3 mt -87.19 -49.76 14.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -76.13 -2.88 33.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.612 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 71' ' ' HIS . 3.1 mmm180 46.09 38.08 4.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.294 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.2 p -132.83 159.64 39.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.167 . . . . 0.0 110.008 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.543 ' SG ' HG21 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -129.4 175.63 8.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 108.319 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.621 HG23 ' HA ' ' A' ' 90' ' ' ARG . 53.3 m -121.11 109.55 15.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.413 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.515 HG11 HD21 ' A' ' 100' ' ' LEU . 88.3 t -89.64 126.84 42.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 61.5 m-20 -130.4 114.97 16.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.493 HG12 ' CE1' ' A' ' 63' ' ' PHE . 55.5 mt -75.05 150.34 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 62' ' ' PRO . 4.7 mmt -125.91 0.65 7.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.96 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.42 ' O ' ' O ' ' A' ' 84' ' ' GLY . 0.3 OUTLIER -131.02 141.69 50.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 111.009 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' A' ' 85' ' ' THR . . . 52.76 106.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.437 ' O ' ' O ' ' A' ' 84' ' ' GLY . 22.1 m 56.23 113.19 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.485 0.756 . . . . 0.0 110.421 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 92.83 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.427 1.751 . . . . 0.0 111.045 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -107.89 152.6 24.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.345 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -136.92 107.21 6.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.482 ' CD2' HD11 ' A' ' 100' ' ' LEU . 91.6 m-70 -95.99 114.52 26.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.583 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.621 ' HA ' HG23 ' A' ' 78' ' ' THR . 17.8 mtm180 -108.59 145.95 34.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.334 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 42.8 m-20 58.53 80.85 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 17.2 mmm -134.5 134.38 22.35 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 137.33 21.62 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.447 1.762 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -38.77 -64.49 0.44 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.446 1.092 . . . . 0.0 110.271 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -37.74 -56.7 1.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -60.79 -50.68 72.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.316 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -50.47 -37.58 39.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.411 ' O ' HG12 ' A' ' 101' ' ' VAL . 30.5 mmt -69.06 -26.5 64.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.496 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.4 OUTLIER -86.2 -43.56 16.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.246 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.515 HD21 HG11 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -62.69 -28.04 69.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.476 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.8 OUTLIER -85.66 -47.83 16.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.476 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -63.18 -34.61 78.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 5.4 mmm-85 -70.2 -68.81 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -44.11 -51.02 8.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.605 ' CE1' ' SD ' ' A' ' 36' ' ' MET . 9.2 t80 -47.7 -55.39 9.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -44.07 -60.43 1.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.272 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.42 ' NH1' ' OE2' ' A' ' 111' ' ' GLU . 0.0 OUTLIER -48.46 -57.93 5.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -48.37 -42.12 30.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.516 ' HD3' ' CZ ' ' A' ' 105' ' ' TYR . 0.7 OUTLIER -65.05 -47.76 76.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -46.92 -32.83 4.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.42 ' OE2' ' NH1' ' A' ' 107' ' ' ARG . 45.2 mt-10 -92.93 -26.13 17.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 25.5 t -59.58 -62.82 1.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 108.307 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -42.77 -50.72 5.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.49 94.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.18 178.37 1.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 117' ' ' ARG . 3.5 mm-40 -43.0 115.83 0.8 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.342 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 116' ' ' GLU . 37.4 mtt85 -35.46 108.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -46.8 157.64 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.299 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -115.19 35.32 4.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 88.3 mt -106.93 142.95 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 52.92 176.34 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.62 103.43 6.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 64.52 102.19 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.242 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -91.44 173.49 7.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.6 t -99.83 159.21 15.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 162.23 75.59 0.03 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.132 . . . . 0.0 110.972 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -56.09 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.512 1.796 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.28 146.32 42.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.018 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.2 m -124.49 103.99 8.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 -179.964 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 m -150.31 -46.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 0.783 . . . . 0.0 109.984 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 4' ' ' GLY . 0.7 OUTLIER 64.67 -89.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.959 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -37.91 141.58 0.36 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.116 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.22 -59.34 2.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 0.782 . . . . 0.0 109.992 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.4 t -163.39 83.14 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.982 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.82 -172.68 20.24 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 166.07 30.0 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.529 1.805 . . . . 0.0 111.031 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.7 t -138.07 115.57 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.76 -46.4 10.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 8.5 t -148.83 114.52 5.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 108.273 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.2 m -96.55 128.15 43.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.483 HG21 ' CA ' ' A' ' 28' ' ' GLY . 84.7 t -86.73 120.49 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.685 HG21 ' CD2' ' A' ' 49' ' ' LEU . 3.1 mm -97.22 112.93 30.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.257 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.418 ' CG2' ' O ' ' A' ' 17' ' ' ASN . 0.9 OUTLIER -125.66 102.86 10.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.127 . . . . 0.0 109.268 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.722 HG12 HD12 ' A' ' 43' ' ' LEU . 10.2 m -80.28 -28.28 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.418 ' O ' ' CG2' ' A' ' 15' ' ' VAL . 15.3 m120 -100.15 121.83 42.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -62.75 -40.78 98.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 0.0 109.328 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.93 -43.32 2.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.495 HG22 ' CG ' ' A' ' 72' ' ' GLN . 1.2 p -82.97 55.86 3.25 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.521 1.138 . . . . 0.0 110.434 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.515 ' O ' ' CG ' ' A' ' 25' ' ' GLU . 14.5 tttt -89.62 -67.48 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.92 -39.59 54.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -67.17 -64.41 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.951 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.986 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -52.38 -35.76 52.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.576 ' HG2' HD21 ' A' ' 40' ' ' LEU . 5.4 mm-40 -61.75 -21.54 64.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 29' ' ' ARG . 8.3 t -80.78 -68.01 0.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.042 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.602 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -44.43 -32.69 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.641 ' HA2' HG11 ' A' ' 38' ' ' VAL . . . -73.7 -39.23 49.0 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 26' ' ' SER . 4.6 ptm180 -78.52 -22.01 47.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 0.764 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -68.82 -37.29 79.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.762 ' HB ' HG21 ' A' ' 38' ' ' VAL . 68.4 t -72.46 -20.57 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.6 mtp180 -80.58 -32.11 36.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -59.72 -17.35 34.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.38 -12.53 34.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.3 4.85 54.94 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.538 ' HB2' HG12 ' A' ' 31' ' ' VAL . 56.6 mtp -88.42 134.45 33.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 0.791 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.5 t -65.69 128.36 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.762 HG21 ' HB ' ' A' ' 31' ' ' VAL . 36.4 t -130.54 150.18 34.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -138.36 168.69 19.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.576 HD21 ' HG2' ' A' ' 25' ' ' GLU . 1.8 mp -125.64 127.95 47.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 20.6 mt -115.8 99.97 9.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -89.36 115.71 27.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.722 HD12 HG12 ' A' ' 16' ' ' VAL . 0.5 OUTLIER -107.8 58.17 0.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.266 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -44.08 -67.51 0.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.6 m -149.38 69.24 1.04 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.406 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -118.69 -90.02 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.829 HG11 ' HG2' ' A' ' 51' ' ' GLN . 1.4 t -122.62 -143.55 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.415 ' H ' HG12 ' A' ' 47' ' ' VAL . 28.0 t -107.78 176.02 5.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.977 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.685 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.6 OUTLIER -65.77 -53.33 41.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 96.7 p -47.16 -46.64 23.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.023 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.829 ' HG2' HG11 ' A' ' 47' ' ' VAL . 2.4 tp-100 -45.99 -35.51 4.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.331 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.959 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -79.67 -40.02 30.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 53' ' ' LEU . 44.9 mt -58.94 -39.44 81.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -63.0 -38.18 90.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.285 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.33 -27.06 35.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.959 HG23 ' O ' ' A' ' 52' ' ' ALA . 52.5 t -60.3 -44.0 94.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 60' ' ' GLY . 0.0 OUTLIER -66.7 -66.46 0.55 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 110.063 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.42 ' HB2' ' NH1' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -46.28 -36.37 6.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.404 ' N ' ' CG ' ' A' ' 58' ' ' ARG . . . -62.94 -31.98 82.43 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 57' ' ' SER . . . 118.79 -30.53 5.88 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.602 ' HB2' HG13 ' A' ' 56' ' ' VAL . 0.7 OUTLIER -38.54 110.28 0.55 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 110.04 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.2 Cg_endo -75.0 -34.84 3.51 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.492 1.785 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 15.8 m-30 -115.99 149.13 39.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 111.059 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.521 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -145.77 126.75 14.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.471 HG23 ' HB3' ' A' ' 77' ' ' CYS . 27.5 mt -100.43 139.56 21.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.611 ' CG2' HD11 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -100.33 132.38 46.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.986 HG21 ' HB2' ' A' ' 24' ' ' ALA . 6.4 mm -129.08 147.38 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.548 HG23 ' N ' ' A' ' 69' ' ' GLN . 0.5 OUTLIER -175.93 176.11 1.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.386 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.548 ' N ' HG23 ' A' ' 68' ' ' THR . 0.5 OUTLIER -49.73 -65.43 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.451 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.9 mm100 -49.06 -66.78 0.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.513 ' CE1' ' CG1' ' A' ' 66' ' ' VAL . 36.8 m80 -37.43 -35.87 0.14 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.588 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.495 ' CG ' HG22 ' A' ' 20' ' ' THR . 8.4 tt0 -62.46 -55.47 27.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 70' ' ' GLN . 6.0 mt -57.3 -59.59 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -62.52 -17.66 60.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.621 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 71' ' ' HIS . 5.8 mtp180 58.91 31.46 21.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.4 p -124.71 140.36 53.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.989 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.471 ' HB3' HG23 ' A' ' 65' ' ' ILE . 3.1 m -117.15 176.6 5.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 108.305 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.6 m -117.7 118.61 32.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.418 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.83 HG11 HD21 ' A' ' 100' ' ' LEU . 60.0 t -89.63 107.89 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -111.92 110.94 21.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 58.1 mt -79.28 149.66 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 62' ' ' PRO . 7.6 mmt -113.75 -24.83 8.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.57 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -98.39 151.07 20.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 67.51 -157.54 51.79 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.534 1.146 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.732 HG23 ' HD2' ' A' ' 86' ' ' PRO . 2.6 m -57.42 146.52 63.2 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 110.445 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.732 ' HD2' HG23 ' A' ' 85' ' ' THR . 18.2 Cg_endo -75.02 99.07 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.528 1.804 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -114.7 109.4 18.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.262 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -108.58 97.69 7.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -83.3 109.94 17.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.596 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.7 mtp-105 -94.06 132.56 38.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.6 t30 66.96 89.24 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.41 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 39.0 mtp -131.74 131.41 22.72 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 94' ' ' GLN . 18.3 Cg_endo -75.03 139.98 24.83 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.578 1.831 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -37.76 -65.68 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 110.339 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -38.55 -72.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 99' ' ' VAL . 1.0 OUTLIER -45.12 -52.46 9.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 94' ' ' GLN . . . -49.78 -41.39 44.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 27.6 mmt -72.57 -22.26 61.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.508 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.4 OUTLIER -86.08 -50.13 14.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.83 HD21 HG11 ' A' ' 79' ' ' VAL . 0.1 OUTLIER -54.23 -41.28 68.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.426 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.5 OUTLIER -68.43 -45.1 82.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.426 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -71.12 -14.12 62.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.508 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 8.4 mmm-85 -88.18 -55.74 3.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.415 ' CG ' ' O ' ' A' ' 100' ' ' LEU . 2.7 m120 -58.28 -56.56 20.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.49 ' CZ ' ' HE2' ' A' ' 109' ' ' LYS . 29.6 t80 -37.77 -48.73 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.405 ' O ' ' OD1' ' A' ' 110' ' ' ASN . 7.1 mm-40 -50.13 -58.58 5.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 110' ' ' ASN . 0.0 OUTLIER -68.45 -51.12 47.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -44.72 -29.81 0.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 111.027 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.49 ' HE2' ' CZ ' ' A' ' 105' ' ' TYR . 3.6 mtmt -78.54 -40.94 33.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.251 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 107' ' ' ARG . 12.3 m-20 -47.21 -37.55 10.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -91.15 -24.88 19.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.577 1.173 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 20.8 t -58.57 -56.19 25.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 108.279 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.99 -47.6 4.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.406 ' O ' ' CB ' ' A' ' 115' ' ' LYS . 18.8 tt0 -51.93 102.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.309 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.406 ' CB ' ' O ' ' A' ' 114' ' ' GLU . 0.0 OUTLIER 81.22 135.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.405 ' CB ' ' O ' ' A' ' 115' ' ' LYS . 3.3 tt0 79.22 -59.67 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 2.1 mmt85 62.86 141.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -48.52 177.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.348 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -116.14 28.72 8.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.276 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 54.6 mt -76.74 107.37 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -67.37 160.08 28.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -54.24 143.21 23.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 70.91 137.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 110.326 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -165.78 -54.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.9 163.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.966 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -177.22 -177.97 46.54 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.536 1.148 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 126.99 10.31 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.439 1.757 . . . . 0.0 111.002 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.87 -59.39 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.036 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 25.1 m -109.67 124.83 51.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.971 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.11 . . . . 0.0 110.955 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 m -150.56 95.7 2.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 0.739 . . . . 0.0 110.018 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.5 m 59.66 152.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.997 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.72 -76.8 1.06 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.458 1.099 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.1 t 62.35 111.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 0.762 . . . . 0.0 109.979 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t -107.25 -60.81 1.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.987 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.19 -179.71 21.82 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 149.72 37.2 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.494 1.786 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.573 HG12 ' C ' ' A' ' 11' ' ' CYS . 73.1 t -126.96 102.71 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -40.23 -39.76 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.623 ' SG ' HD12 ' A' ' 65' ' ' ILE . 41.8 t -143.87 121.29 11.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 108.309 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.3 m -104.51 122.26 45.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.0 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.2 t -87.23 118.5 33.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.542 HG21 ' CD2' ' A' ' 49' ' ' LEU . 2.1 mm -100.56 102.81 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -110.99 99.43 8.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.009 HG12 HD12 ' A' ' 43' ' ' LEU . 33.3 m -79.99 58.42 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 174.43 -171.36 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -123.16 -43.69 2.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.5 -43.79 1.32 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.28 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.4 p -89.07 51.96 2.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.393 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -85.96 -56.58 3.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.433 1.083 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.99 -46.64 86.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -57.55 -60.97 2.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 111.053 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.61 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -52.65 -38.62 60.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.855 ' CG ' HD22 ' A' ' 40' ' ' LEU . 3.3 mt-10 -63.79 -10.78 21.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.147 . . . . 0.0 110.333 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.465 ' HA ' ' CZ ' ' A' ' 29' ' ' ARG . 7.2 t -89.27 -70.87 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.994 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.642 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -41.89 -30.52 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.645 ' HA2' HG11 ' A' ' 38' ' ' VAL . . . -75.09 -45.69 19.1 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.531 1.144 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.465 ' CZ ' ' HA ' ' A' ' 26' ' ' SER . 0.3 OUTLIER -70.39 -29.17 65.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 0.776 . . . . 0.0 110.294 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -59.94 -39.01 84.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.935 ' HB ' HG21 ' A' ' 38' ' ' VAL . 97.1 t -70.27 -27.22 31.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -73.22 -33.01 65.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 110.254 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -60.04 -17.74 41.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.5 OUTLIER -91.48 -11.92 36.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.345 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.96 31.49 6.94 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.455 1.097 . . . . 0.0 111.034 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.609 ' HB2' HG12 ' A' ' 31' ' ' VAL . 91.2 mtp -115.64 134.32 55.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 0.801 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.6 t -66.41 119.21 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.935 HG21 ' HB ' ' A' ' 31' ' ' VAL . 48.5 t -129.96 151.06 35.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.401 ' CG ' ' N ' ' A' ' 40' ' ' LEU . 16.4 t70 -144.03 168.42 20.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.855 HD22 ' CG ' ' A' ' 25' ' ' GLU . 1.5 mp -116.41 132.31 56.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 24.4 mt -114.75 106.31 20.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -93.02 120.56 33.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 1.009 HD12 HG12 ' A' ' 16' ' ' VAL . 39.2 mt -103.68 75.87 1.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -69.17 68.78 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.704 HG22 ' O ' ' A' ' 45' ' ' THR . 4.9 m 51.26 39.73 24.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.41 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.74 -62.52 1.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.678 HG11 ' HG2' ' A' ' 51' ' ' GLN . 1.8 t -141.85 -143.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.503 ' H ' HG12 ' A' ' 47' ' ' VAL . 36.9 m -110.23 154.56 23.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.002 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.542 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.3 OUTLIER -46.49 -55.13 7.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.6 p -44.43 -47.76 9.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.001 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.678 ' HG2' HG11 ' A' ' 47' ' ' VAL . 2.3 tp-100 -47.62 -31.45 4.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.335 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.453 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -83.11 -38.64 22.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 53' ' ' LEU . 23.6 mt -56.75 -44.15 81.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -57.67 -37.75 73.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.434 ' HA ' ' CG ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER -68.82 -33.38 73.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.941 HG11 ' HB2' ' A' ' 64' ' ' ALA . 69.2 t -64.75 -40.24 88.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.11 -51.16 7.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 110.037 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.447 ' HG3' ' N ' ' A' ' 59' ' ' GLY . 0.1 OUTLIER -63.88 -22.52 66.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.324 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.447 ' N ' ' HG3' ' A' ' 58' ' ' ARG . . . -85.65 -32.42 18.81 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 61' ' ' SER . . . 124.82 -29.57 4.88 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.859 ' HB3' HG13 ' A' ' 56' ' ' VAL . 1.0 OUTLIER -38.1 117.09 0.9 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 110.002 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.415 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.4 Cg_endo -75.0 -45.14 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.526 1.803 . . . . 0.0 111.017 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.563 ' CD1' HG12 ' A' ' 81' ' ' ILE . 9.9 m-30 -112.74 153.0 28.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.941 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -144.3 125.37 14.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.623 HD12 ' SG ' ' A' ' 11' ' ' CYS . 8.8 mt -95.23 141.43 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.65 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 0.4 OUTLIER -107.88 131.94 56.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.642 HD11 HG11 ' A' ' 27' ' ' VAL . 4.7 mm -125.79 150.87 31.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.411 HG22 ' CG ' ' A' ' 71' ' ' HIS . 2.5 t -174.62 161.48 3.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.441 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 68' ' ' THR . 8.7 mt-30 -38.38 -64.99 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.34 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 73' ' ' ILE . 0.0 OUTLIER -50.9 -62.27 1.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.327 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.65 ' CE1' ' CG1' ' A' ' 66' ' ' VAL . 21.1 m170 -39.78 -37.16 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.627 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -62.24 -50.6 71.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 70' ' ' GLN . 12.7 mt -56.25 -65.41 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -61.65 -17.64 56.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 109.617 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 71' ' ' HIS . 6.4 mtp180 61.93 33.99 17.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.269 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.4 p -123.54 143.14 50.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.978 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.521 ' HB2' HG23 ' A' ' 65' ' ' ILE . 1.7 p -121.19 175.5 6.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 108.327 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.643 HG23 ' O ' ' A' ' 89' ' ' HIS . 52.3 m -116.56 114.45 24.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.372 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.594 HG11 HD21 ' A' ' 100' ' ' LEU . 57.7 t -90.91 113.63 26.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -112.59 118.33 34.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.563 HG12 ' CD1' ' A' ' 63' ' ' PHE . 29.6 mt -84.82 144.28 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 62' ' ' PRO . 9.9 mmt -107.86 -28.02 9.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 111.045 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.609 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.3 OUTLIER -100.61 149.26 23.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 111.003 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.0 -165.59 54.77 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.472 1.108 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.738 HG23 ' HD2' ' A' ' 86' ' ' PRO . 2.6 m -51.16 146.46 11.18 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.528 0.781 . . . . 0.0 110.386 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.738 ' HD2' HG23 ' A' ' 85' ' ' THR . 18.3 Cg_endo -75.0 101.2 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.529 1.805 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -116.15 110.45 18.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -104.29 103.31 13.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.643 ' O ' HG23 ' A' ' 78' ' ' THR . 75.3 m-70 -88.05 110.96 21.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.61 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.9 mtp85 -103.2 128.91 50.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 60.08 94.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.464 ' CE ' ' HB3' ' A' ' 96' ' ' ASP . 9.6 mmm -138.95 136.99 18.81 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 92' ' ' MET . 18.2 Cg_endo -74.98 139.02 23.83 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.547 1.814 . . . . 0.0 111.019 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.46 ' CG ' HG23 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -39.13 -64.4 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.303 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -39.65 -49.58 2.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.464 ' HB3' ' CE ' ' A' ' 92' ' ' MET . 0.5 OUTLIER -62.89 -58.36 7.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -46.65 -43.34 17.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.411 ' O ' HG12 ' A' ' 101' ' ' VAL . 32.2 mmt -62.83 -29.22 70.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 111.039 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 96' ' ' ASP . 0.4 OUTLIER -83.41 -42.31 17.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.594 HD21 HG11 ' A' ' 79' ' ' VAL . 0.1 OUTLIER -63.85 -28.57 69.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.1 . . . . 0.0 109.267 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.498 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.5 OUTLIER -87.26 -49.66 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.349 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.498 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -60.73 -34.1 73.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.353 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.42 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 5.5 mmm180 -72.48 -66.8 0.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 110.259 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -49.01 -56.5 8.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.494 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 17.3 t80 -38.35 -57.71 1.09 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 111.046 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -41.01 -56.77 2.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.469 ' O ' ' ND2' ' A' ' 110' ' ' ASN . 12.1 ttt180 -67.77 -58.18 5.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.346 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -36.96 -40.86 0.31 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 111.032 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 112' ' ' CYS . 1.8 mtmt -62.91 -51.73 65.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.345 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 107' ' ' ARG . 0.2 OUTLIER -45.51 -36.26 4.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -83.04 -30.5 28.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.307 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . 0.455 ' N ' ' O ' ' A' ' 109' ' ' LYS . 0.5 OUTLIER -63.94 -54.68 30.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 108.281 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.3 -58.46 2.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -39.54 107.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.325 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.75 126.04 2.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 109.33 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 117' ' ' ARG . 0.9 OUTLIER -172.85 -49.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 116' ' ' GLU . 49.0 mtm180 -35.56 137.93 0.17 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.115 . . . . 0.0 110.285 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.511 ' OE2' HD11 ' A' ' 120' ' ' ILE . 2.0 mt-10 -44.87 169.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -113.68 32.13 6.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.511 HD11 ' OE2' ' A' ' 118' ' ' GLU . 83.9 mt -79.08 109.28 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 55.87 88.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.21 145.74 4.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -136.79 89.02 2.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -48.03 135.39 12.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 6.9 p -174.1 138.0 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.031 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -141.25 96.53 0.2 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.572 1.17 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 175.0 11.82 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.443 1.76 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 77.4 p -158.67 105.08 1.81 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.008 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 36.4 m -166.14 164.18 17.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.984 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.539 1.149 . . . . 0.0 110.977 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.43 135.29 45.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 0.74 . . . . 0.0 110.007 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -94.45 90.74 6.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 109.988 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.65 151.23 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.536 1.147 . . . . 0.0 110.993 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.7 p -120.02 -65.99 1.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 0.733 . . . . 0.0 110.01 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -170.44 163.62 8.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.992 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.93 177.77 54.26 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 131.8 14.72 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.474 1.776 . . . . 0.0 110.956 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 t -132.25 115.93 27.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.81 -42.82 3.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.58 ' O ' HG13 ' A' ' 38' ' ' VAL . 14.1 t -149.38 106.05 3.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 108.312 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.62 135.39 33.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.029 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.562 HG21 ' CA ' ' A' ' 28' ' ' GLY . 57.5 t -90.47 133.27 32.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.746 HG21 ' CD2' ' A' ' 49' ' ' LEU . 3.0 mm -110.1 110.84 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.581 HG22 ' O ' ' A' ' 17' ' ' ASN . 0.3 OUTLIER -125.85 97.17 4.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 109.349 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.649 HG12 ' CD1' ' A' ' 43' ' ' LEU . 10.8 m -68.96 -39.15 79.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.581 ' O ' HG22 ' A' ' 15' ' ' VAL . 4.7 m120 -79.93 173.08 12.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -111.22 -32.15 6.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -50.94 -38.9 53.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.665 HG21 ' O ' ' A' ' 68' ' ' THR . 5.6 p -86.45 50.19 1.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.371 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.462 ' HE3' ' CZ ' ' A' ' 42' ' ' PHE . 1.6 tttt -87.49 -40.99 13.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.32 -32.94 29.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.494 ' HE1' HG23 ' A' ' 67' ' ' ILE . 17.3 t80 -72.69 -54.57 8.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.962 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.742 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -58.02 -38.98 77.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.877 ' CG ' HD22 ' A' ' 40' ' ' LEU . 6.0 mt-10 -62.8 -12.16 22.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 29' ' ' ARG . 5.1 t -87.45 -67.67 0.81 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.108 . . . . 0.0 109.958 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.802 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -50.35 -29.16 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.665 ' O ' HG11 ' A' ' 38' ' ' VAL . . . -71.39 -23.52 77.96 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 0.0 110.941 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 26' ' ' SER . 3.5 ptm180 -93.02 -33.55 14.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 110.272 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.07 -33.55 26.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.96 ' HB ' HG21 ' A' ' 38' ' ' VAL . 19.1 t -77.8 -28.88 15.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 29' ' ' ARG . 27.9 mtm180 -73.43 -31.74 63.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -59.81 -18.01 40.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.5 OUTLIER -90.86 -11.68 38.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.97 25.67 11.15 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.499 1.124 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 89.3 mtp -108.25 135.33 49.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 0.784 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.4 t -65.91 123.56 19.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.96 HG21 ' HB ' ' A' ' 31' ' ' VAL . 86.0 t -136.46 150.98 27.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 0.0 109.278 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -142.87 168.2 20.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.877 HD22 ' CG ' ' A' ' 25' ' ' GLU . 0.8 OUTLIER -115.43 128.58 56.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.453 ' O ' HG13 ' A' ' 15' ' ' VAL . 18.5 mt -111.02 110.09 30.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.261 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.462 ' CZ ' ' HE3' ' A' ' 21' ' ' LYS . 41.5 m-85 -97.66 125.77 42.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.649 ' CD1' HG12 ' A' ' 16' ' ' VAL . 0.4 OUTLIER -117.12 71.24 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -86.94 83.7 7.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.351 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 95.9 m 60.47 56.14 3.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.385 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -130.38 -67.11 0.74 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 110.266 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.614 HG23 HD22 ' A' ' 43' ' ' LEU . 33.2 m -138.0 179.02 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.2 t -94.25 174.0 7.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.014 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.746 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.4 OUTLIER -58.23 -62.22 1.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.26 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 85.8 p -44.98 -48.23 11.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.986 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -45.51 -32.53 2.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 1.011 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -87.1 -40.82 14.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.406 ' HG ' HD22 ' A' ' 49' ' ' LEU . 54.4 mt -58.86 -44.59 91.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -61.43 -34.49 75.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -80.89 -31.28 35.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 1.011 HG23 ' O ' ' A' ' 52' ' ' ALA . 69.8 t -60.1 -47.47 91.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -63.83 0.99 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 110.011 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.449 ' CG ' ' N ' ' A' ' 59' ' ' GLY . 0.3 OUTLIER -51.83 -39.32 58.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.274 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.449 ' N ' ' CG ' ' A' ' 58' ' ' ARG . . . -61.71 -32.16 80.62 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 127.08 -35.08 2.94 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.679 ' CB ' HG13 ' A' ' 56' ' ' VAL . 1.2 m -39.12 112.23 0.71 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.513 0.772 . . . . 0.0 110.046 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.1 Cg_endo -75.07 -41.59 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 110.967 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.573 ' CE1' HG12 ' A' ' 81' ' ' ILE . 14.3 m-30 -113.75 146.79 39.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 111.02 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.734 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -138.14 126.51 23.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.443 HG22 HG12 ' A' ' 67' ' ' ILE . 6.1 mt -97.52 130.53 46.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.6 HG22 HD11 ' A' ' 49' ' ' LEU . 0.5 OUTLIER -94.67 121.57 45.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.584 1.177 . . . . 0.0 109.331 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.802 HD11 HG11 ' A' ' 27' ' ' VAL . 4.4 mm -125.91 131.39 71.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.665 ' O ' HG21 ' A' ' 20' ' ' THR . 38.3 p -146.63 -165.73 2.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.391 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.24 -64.74 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.922 ' HA ' HD12 ' A' ' 73' ' ' ILE . 1.1 tt0 -46.67 -56.27 6.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.338 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.479 ' CE1' ' CG1' ' A' ' 66' ' ' VAL . 11.3 m80 -40.25 -55.43 2.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.619 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -39.12 -41.84 0.87 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.922 HD12 ' HA ' ' A' ' 70' ' ' GLN . 8.3 mt -64.03 -50.61 76.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.427 ' N ' ' O ' ' A' ' 71' ' ' HIS . 31.6 m-70 -76.12 -1.75 27.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.586 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 71' ' ' HIS . 0.1 OUTLIER 46.44 26.17 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.265 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -123.8 155.66 37.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.517 ' HB3' HD13 ' A' ' 67' ' ' ILE . 1.6 p -127.98 172.88 10.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 108.307 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.406 ' HB ' ' CG1' ' A' ' 66' ' ' VAL . 23.0 m -112.02 117.49 32.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.365 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.455 HG11 HD21 ' A' ' 100' ' ' LEU . 86.3 t -89.8 126.68 42.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -127.53 117.17 21.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.573 HG12 ' CE1' ' A' ' 63' ' ' PHE . 33.6 mt -83.77 145.11 8.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 62' ' ' PRO . 4.9 mmt -111.52 -23.8 10.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.3 OUTLIER -104.27 157.67 16.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 62.13 -171.21 10.3 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.76 HG23 ' HD2' ' A' ' 86' ' ' PRO . 2.5 m -41.06 146.55 0.48 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 0.773 . . . . 0.0 110.41 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.76 ' HD2' HG23 ' A' ' 85' ' ' THR . 18.1 Cg_endo -75.07 89.9 1.13 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.463 1.77 . . . . 0.0 110.933 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -109.63 113.99 27.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -112.92 109.31 18.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.421 ' CE1' ' CD1' ' A' ' 100' ' ' LEU . 40.8 m-70 -95.67 112.25 24.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.605 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -102.09 140.99 35.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.8 t30 54.54 92.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 13.1 mmm -139.58 137.22 18.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 144.75 30.54 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.546 1.814 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.481 ' CG ' HG23 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -39.0 -71.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.322 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -37.46 -62.14 0.54 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.44 -59.52 2.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -48.31 -48.5 35.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.407 ' SD ' ' O ' ' A' ' 94' ' ' GLN . 0.0 OUTLIER -58.42 -27.02 63.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.957 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.432 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.5 OUTLIER -85.55 -46.12 17.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.455 HD21 HG11 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -62.98 -28.58 70.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.478 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.8 OUTLIER -84.03 -48.13 17.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.478 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -63.48 -31.03 72.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.432 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 1.6 mmm180 -74.82 -58.69 3.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -56.69 -52.66 64.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.516 ' CZ ' ' HD3' ' A' ' 109' ' ' LYS . 26.3 t80 -41.93 -53.49 3.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.58 1.175 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -44.25 -64.14 0.74 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 110' ' ' ASN . 0.0 OUTLIER -48.6 -60.95 2.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 110.338 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -45.28 -30.97 1.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 111.021 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.516 ' HD3' ' CZ ' ' A' ' 105' ' ' TYR . 0.2 OUTLIER -77.46 -40.67 42.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 107' ' ' ARG . 60.3 m-20 -47.13 -41.49 17.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -87.31 -24.46 24.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.337 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 115' ' ' LYS . 10.5 t -64.58 -54.84 25.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 108.305 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 3.6 tmm_? -47.08 -24.66 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.258 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.72 -40.12 56.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 112' ' ' CYS . 0.0 OUTLIER -98.25 59.59 1.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 117' ' ' ARG . 0.3 OUTLIER -178.24 156.67 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -35.5 120.37 0.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.334 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -44.49 157.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.293 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -108.81 40.13 1.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 8.7 mt -40.51 103.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -174.85 58.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.414 ' NH1' ' HB3' ' A' ' 122' ' ' ARG . 2.2 ptp180 -73.83 137.29 43.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.266 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -157.91 -59.02 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -174.22 176.17 2.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 73.8 p -159.33 166.23 31.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.979 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -154.94 133.66 3.91 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 178.98 6.52 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.46 1.768 . . . . 0.0 111.027 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 5.5 t -138.94 -58.58 0.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.986 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.33 155.85 19.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.024 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.475 1.11 . . . . 0.0 110.958 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 m 61.14 144.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 0.796 . . . . 0.0 110.027 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.0 p -91.12 145.96 24.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.013 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.55 -164.01 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.556 1.16 . . . . 0.0 111.041 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.5 t -66.23 98.97 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 0.767 . . . . 0.0 110.025 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.74 75.76 1.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.997 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.02 155.14 10.26 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.462 1.102 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.467 ' CG ' ' HA3' ' A' ' 60' ' ' GLY . 18.4 Cg_endo -74.95 50.56 2.54 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.521 1.8 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 8' ' ' PRO . 34.5 t 58.8 151.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.419 ' HB2' ' N ' ' A' ' 37' ' ' VAL . 0.6 OUTLIER -103.35 -32.3 9.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.578 ' O ' HG13 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -145.0 97.16 2.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 108.344 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.2 p -81.76 121.77 26.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.467 ' CG1' HG13 ' A' ' 67' ' ' ILE . 62.4 t -87.86 116.65 30.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.626 HG21 ' CD2' ' A' ' 49' ' ' LEU . 2.1 mm -100.16 105.78 18.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -111.15 95.99 4.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.061 HG12 HD12 ' A' ' 43' ' ' LEU . 11.1 m -80.66 66.16 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 167.93 127.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -51.85 -24.93 6.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.437 ' C ' ' N ' ' A' ' 21' ' ' LYS . 2.1 mm-40 -74.07 -165.03 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.348 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.583 HG21 ' O ' ' A' ' 68' ' ' THR . 1.3 p 39.94 29.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.355 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.437 ' N ' ' C ' ' A' ' 19' ' ' GLN . 4.8 tttt -63.75 -59.29 4.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -60.08 -52.61 64.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.252 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -49.74 -57.12 7.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.751 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -58.31 -38.06 76.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.851 ' CG ' HD22 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -66.18 -9.72 34.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 29' ' ' ARG . 4.2 t -91.39 -70.25 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.957 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.611 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -43.2 -29.11 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.782 ' CA ' HG11 ' A' ' 38' ' ' VAL . . . -72.71 -43.35 43.44 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.457 1.098 . . . . 0.0 110.951 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.477 ' CG ' ' N ' ' A' ' 30' ' ' LYS . 4.5 ptm180 -69.85 -40.99 75.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.754 . . . . 0.0 110.341 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.477 ' N ' ' CG ' ' A' ' 29' ' ' ARG . 8.6 mptt -46.01 -42.19 12.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.789 ' HB ' HG21 ' A' ' 38' ' ' VAL . 48.7 t -67.05 -35.53 74.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 29' ' ' ARG . 15.0 mtp180 -64.37 -31.32 72.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -61.81 -21.07 64.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.7 OUTLIER -89.04 -10.7 46.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.26 35.6 5.69 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.674 ' HB2' HG12 ' A' ' 31' ' ' VAL . 80.8 mtp -119.8 135.25 54.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.763 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.419 ' N ' ' HB2' ' A' ' 10' ' ' ASP . 22.3 t -65.49 123.17 17.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.789 HG21 ' HB ' ' A' ' 31' ' ' VAL . 30.7 t -128.84 148.96 33.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -143.96 167.16 23.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.851 HD22 ' CG ' ' A' ' 25' ' ' GLU . 1.5 mp -119.87 129.09 54.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 31.2 mt -118.94 107.92 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.415 ' CZ ' ' HE3' ' A' ' 21' ' ' LYS . 63.8 m-85 -90.41 124.71 35.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 1.061 HD12 HG12 ' A' ' 16' ' ' VAL . 4.6 mt -115.13 -65.96 1.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.091 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 60.7 -83.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.673 HG22 ' O ' ' A' ' 45' ' ' THR . 8.1 m -119.02 35.44 4.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.411 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -116.08 111.43 20.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 41.92 -145.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.9 t -114.94 165.71 12.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.001 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.626 ' CD2' HG21 ' A' ' 14' ' ' ILE . 1.0 OUTLIER -60.02 -50.74 72.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 84.1 p -45.28 -47.75 12.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -43.52 -31.41 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.302 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.13 -44.44 15.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.408 ' HG ' ' CD2' ' A' ' 49' ' ' LEU . 93.1 mt -59.94 -39.55 85.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -65.03 -24.47 67.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.266 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 59' ' ' GLY . 12.4 t0 -89.19 -26.02 21.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.63 HG13 ' CB ' ' A' ' 61' ' ' SER . 10.7 t -64.72 -60.8 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.31 -57.89 10.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.006 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.35 -36.51 73.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 55' ' ' ASP . . . -67.27 -32.62 80.26 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.467 ' HA3' ' CG ' ' A' ' 8' ' ' PRO . . . 131.46 -45.56 1.12 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.63 ' CB ' HG13 ' A' ' 56' ' ' VAL . 1.6 m -35.65 114.14 0.54 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.757 . . . . 0.0 109.978 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.4 Cg_endo -74.97 -39.62 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.492 1.785 . . . . 0.0 111.018 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.573 ' CE1' HG12 ' A' ' 81' ' ' ILE . 14.4 m-30 -112.44 152.7 28.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.623 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -145.1 132.32 20.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.7 mt -99.27 141.63 16.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.494 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 0.5 OUTLIER -107.13 127.67 62.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.355 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.751 HG21 ' HB2' ' A' ' 24' ' ' ALA . 4.6 mm -126.13 136.47 60.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.583 ' O ' HG21 ' A' ' 20' ' ' THR . 67.4 p -147.71 -148.79 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.424 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -89.55 -62.83 1.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.717 ' HA ' HD12 ' A' ' 73' ' ' ILE . 24.6 tt0 -54.23 -42.9 70.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.246 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.494 ' CE1' ' CG1' ' A' ' 66' ' ' VAL . 6.2 m170 -50.87 -30.58 14.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.586 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -68.31 -47.59 67.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 110.27 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.717 HD12 ' HA ' ' A' ' 70' ' ' GLN . 3.7 mt -60.43 -49.63 83.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.142 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 54.9 m-70 -79.98 -4.88 54.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.664 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 71' ' ' HIS . 0.0 OUTLIER 48.7 28.5 1.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.318 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.476 ' O ' ' CD2' ' A' ' 71' ' ' HIS . 1.1 p -115.3 155.72 26.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.025 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.6 p -132.81 175.42 9.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 108.281 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 24.0 m -114.98 113.97 24.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.372 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.433 HG11 ' CD2' ' A' ' 100' ' ' LEU . 77.0 t -90.01 110.17 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -108.63 129.49 55.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.573 HG12 ' CE1' ' A' ' 63' ' ' PHE . 41.3 mt -95.57 144.39 10.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 62' ' ' PRO . 12.1 mmt -106.85 -27.24 10.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.95 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.493 ' O ' ' CG2' ' A' ' 81' ' ' ILE . 0.4 OUTLIER -104.92 146.34 29.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.0 -170.12 54.52 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.729 HG23 ' HD2' ' A' ' 86' ' ' PRO . 2.7 m -46.67 146.48 2.53 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 0.0 110.373 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.729 ' HD2' HG23 ' A' ' 85' ' ' THR . 18.2 Cg_endo -75.03 95.94 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.526 1.803 . . . . 0.0 110.988 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -111.04 133.86 53.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.34 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -128.91 99.9 5.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.403 ' CD2' HD11 ' A' ' 100' ' ' LEU . 68.6 m-70 -86.45 110.51 19.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.629 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -101.18 132.46 46.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.308 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.4 m120 60.88 93.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.455 ' CE ' ' HB3' ' A' ' 96' ' ' ASP . 12.7 mmm -141.35 134.88 14.6 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 139.53 24.32 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.466 1.771 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.488 ' CG ' HG23 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -38.11 -62.87 0.53 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 110.344 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -38.95 -58.78 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.455 ' HB3' ' CE ' ' A' ' 92' ' ' MET . 0.6 OUTLIER -56.2 -56.55 19.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -46.2 -45.34 16.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.426 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 32.5 mmt -61.86 -29.43 70.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.952 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.486 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.4 OUTLIER -82.73 -44.32 19.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.433 ' CD2' HG11 ' A' ' 79' ' ' VAL . 0.1 OUTLIER -63.83 -28.5 69.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.503 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.7 OUTLIER -86.91 -49.76 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.503 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -60.42 -30.29 69.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.486 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 2.2 mmm180 -78.86 -57.8 3.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -57.74 -51.94 67.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.51 ' CZ ' ' HD3' ' A' ' 109' ' ' LYS . 18.5 t80 -41.95 -48.29 4.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -48.37 -63.37 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 110' ' ' ASN . 0.0 OUTLIER -47.3 -58.05 4.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.289 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -46.66 -31.54 2.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.51 ' HD3' ' CZ ' ' A' ' 105' ' ' TYR . 0.7 OUTLIER -80.22 -36.92 34.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 107' ' ' ARG . 29.5 m-20 -49.69 -24.12 2.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -63.68 -27.04 68.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 67.1 m -88.58 -55.73 3.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 108.319 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.62 -47.99 3.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -103.38 -161.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 29.8 mttt 60.39 -170.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 117' ' ' ARG . 0.8 OUTLIER -43.91 108.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 116' ' ' GLU . 2.7 mtm180 -35.5 129.41 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.279 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.43 ' CD ' HD11 ' A' ' 120' ' ' ILE . 1.9 tt0 -44.41 168.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -112.57 33.67 4.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.305 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.577 HG22 ' N ' ' A' ' 121' ' ' ALA . 15.7 mt -62.35 -113.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.249 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.577 ' N ' HG22 ' A' ' 120' ' ' ILE . . . 69.64 161.69 0.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 31.6 mtt180 58.04 85.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.08 137.83 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.92 145.21 38.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.9 163.46 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.977 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 163.09 102.88 0.17 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 150.97 38.91 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.53 1.805 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 39.0 t -83.76 85.57 7.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.976 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 11.7 p -60.33 126.96 29.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.994 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.1 108.11 6.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 109.959 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.9 t 59.85 156.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.01 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.03 -68.72 0.54 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.523 1.139 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m 53.79 85.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.776 . . . . 0.0 109.991 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.93 89.94 1.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.037 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.52 177.25 1.92 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.541 1.151 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 137.89 22.34 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.497 1.788 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.442 HG12 ' C ' ' A' ' 11' ' ' CYS . 70.5 t -127.44 113.8 33.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -42.16 -42.05 2.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.587 ' SG ' HD12 ' A' ' 65' ' ' ILE . 49.4 t -148.69 110.73 4.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 108.3 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.5 m -96.82 133.29 41.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.042 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.462 HG21 ' CA ' ' A' ' 28' ' ' GLY . 61.6 t -88.47 127.35 41.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.574 HG21 ' CD2' ' A' ' 49' ' ' LEU . 2.2 mm -107.83 107.82 23.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -118.08 96.9 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.954 HG12 HD12 ' A' ' 43' ' ' LEU . 12.2 m -78.74 55.76 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -178.94 -171.12 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -122.35 -43.18 2.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.69 -43.1 1.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.45 HG22 ' HG3' ' A' ' 72' ' ' GLN . 2.2 p -89.42 52.68 2.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.39 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.452 ' HE3' ' CZ ' ' A' ' 42' ' ' PHE . 7.0 tttt -89.08 -47.9 7.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.77 -46.12 59.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.494 ' HE1' HD12 ' A' ' 67' ' ' ILE . 16.3 t80 -58.89 -56.88 16.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.08 -42.86 73.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.253 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.851 ' HG2' HD22 ' A' ' 40' ' ' LEU . 3.7 mt-10 -59.82 -14.27 14.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.281 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' ARG . 4.6 t -86.67 -67.38 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.794 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -49.47 -28.67 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.599 ' O ' HG11 ' A' ' 38' ' ' VAL . . . -71.45 -27.44 71.38 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.0 OUTLIER -91.61 -31.26 15.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 110.291 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.85 -40.81 61.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.945 ' HB ' HG21 ' A' ' 38' ' ' VAL . 52.2 t -70.4 -31.47 46.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.409 ' CZ ' ' HA ' ' A' ' 29' ' ' ARG . 87.9 mtm-85 -69.23 -32.57 71.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.297 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -60.05 -17.39 38.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.5 OUTLIER -92.38 -12.68 31.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.86 28.56 8.21 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.667 ' HB2' HG12 ' A' ' 31' ' ' VAL . 90.8 mtp -112.01 135.06 53.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.769 . . . . 0.0 111.018 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.8 t -66.02 123.66 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.945 HG21 ' HB ' ' A' ' 31' ' ' VAL . 96.4 t -135.82 152.39 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -143.98 168.38 20.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.851 HD22 ' HG2' ' A' ' 25' ' ' GLU . 0.9 OUTLIER -114.69 128.46 56.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.498 ' CG2' HD21 ' A' ' 43' ' ' LEU . 10.0 mt -112.72 110.93 34.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.452 ' CZ ' ' HE3' ' A' ' 21' ' ' LYS . 40.2 m-85 -97.16 135.54 38.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 111.03 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.954 HD12 HG12 ' A' ' 16' ' ' VAL . 1.0 OUTLIER -133.69 135.03 43.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -174.58 120.95 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.7 p 44.2 39.85 3.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.4 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -138.7 -69.32 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 110.265 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 30.6 m -136.28 179.75 3.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.3 t -103.07 167.54 9.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.014 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.674 ' HB2' HG11 ' A' ' 16' ' ' VAL . 0.5 OUTLIER -53.56 -54.79 32.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.405 1.065 . . . . 0.0 109.271 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 96.3 p -48.34 -44.29 34.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.995 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -48.5 -35.05 12.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.306 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.611 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -79.35 -38.17 35.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.434 ' HG ' ' CD2' ' A' ' 49' ' ' LEU . 47.9 mt -63.01 -42.99 99.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.592 1.182 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -60.2 -31.71 70.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.148 . . . . 0.0 110.345 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.45 ' OD1' ' NE ' ' A' ' 58' ' ' ARG . 8.9 t0 -83.61 -22.68 32.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.772 HG11 ' HB2' ' A' ' 64' ' ' ALA . 12.2 t -69.21 -41.27 81.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.43 -55.97 5.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.036 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.45 ' NE ' ' OD1' ' A' ' 55' ' ' ASP . 16.1 ptt85 -60.45 -36.69 78.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.407 ' N ' ' CG ' ' A' ' 58' ' ' ARG . . . -65.32 -31.96 82.16 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.125 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 121.62 -28.24 6.02 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.669 ' HB3' HG13 ' A' ' 56' ' ' VAL . 1.0 OUTLIER -39.85 113.39 0.89 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.561 0.801 . . . . 0.0 110.018 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.414 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.4 Cg_endo -75.01 -38.26 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.49 1.784 . . . . 0.0 111.048 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.558 ' CD1' HG12 ' A' ' 81' ' ' ILE . 13.8 m-30 -114.99 152.32 32.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 111.064 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.772 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -142.33 123.05 14.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.587 HD12 ' SG ' ' A' ' 11' ' ' CYS . 7.1 mt -95.34 133.33 36.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.243 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.683 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 0.8 OUTLIER -101.32 125.62 55.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.794 HD11 HG11 ' A' ' 27' ' ' VAL . 4.3 mm -125.35 155.38 34.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.713 HG23 ' N ' ' A' ' 69' ' ' GLN . 0.6 OUTLIER -178.9 -170.21 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.391 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.713 ' N ' HG23 ' A' ' 68' ' ' THR . 80.4 mt-30 -57.05 -65.17 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.26 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.437 ' HA ' HD12 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -51.49 -62.23 1.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.287 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.683 ' CE1' ' CG1' ' A' ' 66' ' ' VAL . 38.7 m80 -39.11 -39.03 0.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.612 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.45 ' HG3' HG22 ' A' ' 20' ' ' THR . 1.5 tt0 -60.15 -58.14 9.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.437 HD12 ' HA ' ' A' ' 70' ' ' GLN . 11.0 mt -51.03 -69.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -56.08 -19.9 14.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.618 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 71' ' ' HIS . 0.0 OUTLIER 65.12 25.83 12.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.439 ' OG ' ' HA ' ' A' ' 93' ' ' PRO . 32.5 m -122.69 146.95 47.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.012 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.615 ' HB3' HD13 ' A' ' 67' ' ' ILE . 1.8 p -125.56 175.08 7.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 108.301 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.493 ' CG2' ' HB3' ' A' ' 90' ' ' ARG . 20.3 m -109.89 118.86 37.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.382 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.426 ' N ' ' O ' ' A' ' 89' ' ' HIS . 72.6 t -90.22 113.11 25.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -112.42 128.17 56.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.558 HG12 ' CD1' ' A' ' 63' ' ' PHE . 43.0 mt -94.21 144.35 9.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.649 ' HG3' HG12 ' A' ' 56' ' ' VAL . 13.4 mmt -107.22 -26.83 10.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.983 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.589 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -89.48 149.67 22.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.978 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 58.28 -165.19 7.63 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.75 HG23 ' HD2' ' A' ' 86' ' ' PRO . 2.5 m -44.03 146.49 1.08 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.542 0.789 . . . . 0.0 110.411 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.75 ' HD2' HG23 ' A' ' 85' ' ' THR . 18.1 Cg_endo -75.04 101.87 1.52 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.533 1.807 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -111.32 120.18 41.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -115.56 116.11 27.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.318 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.426 ' O ' ' N ' ' A' ' 79' ' ' VAL . 60.2 m-70 -116.63 109.39 17.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.6 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.493 ' HB3' ' CG2' ' A' ' 78' ' ' THR . 0.0 OUTLIER -117.94 166.59 12.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.338 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 63.96 16.61 10.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 18.3 mmm -82.77 133.66 48.61 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 111.034 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.439 ' HA ' ' OG ' ' A' ' 76' ' ' SER . 18.1 Cg_endo -75.03 145.73 31.7 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.45 1.763 . . . . 0.0 110.973 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.498 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 0.1 OUTLIER -37.29 -71.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 98' ' ' MET . . . -37.68 -71.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -40.8 -48.79 3.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 94' ' ' GLN . . . -56.63 -46.25 81.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -62.06 -23.44 66.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -86.24 -48.37 15.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.433 ' N ' HG12 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -59.97 -28.03 67.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.494 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.8 OUTLIER -85.37 -49.63 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.494 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -56.29 -27.91 56.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 104' ' ' ASN . 9.6 mmm-85 -85.28 -72.48 0.48 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 110.301 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 103' ' ' ARG . 7.7 m-80 -39.11 -46.97 1.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.481 ' CE2' ' HG2' ' A' ' 36' ' ' MET . 2.8 t80 -46.81 -60.25 2.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.974 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -56.23 -39.52 72.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 110' ' ' ASN . 1.1 mtt180 -64.95 -58.57 5.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -41.42 -29.96 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 112' ' ' CYS . 1.0 OUTLIER -79.75 -45.99 17.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 107' ' ' ARG . 99.8 m-20 -44.65 -33.89 1.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.352 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -93.48 -26.42 17.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 109' ' ' LYS . 19.5 t -62.79 -70.3 0.21 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 108.337 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -39.4 -50.86 2.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.27 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -63.39 89.12 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.333 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.8 tptt -82.0 99.92 9.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 68.73 142.3 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.19 113.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -44.09 167.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.265 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -116.88 38.1 3.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 4.6 mt -41.72 118.37 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -168.13 83.65 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.64 142.76 14.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.315 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -116.19 148.06 40.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -88.84 132.32 34.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 13.4 m -153.59 119.43 5.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.01 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 162.41 139.26 2.6 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 147.78 34.4 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.466 1.772 . . . . 0.0 111.01 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 38.0 m -129.5 142.13 50.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.001 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.4 t -129.23 82.45 2.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.983 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.577 1.173 . . . . 0.0 110.975 179.959 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 t -116.73 98.85 6.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 0.747 . . . . 0.0 109.998 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 m -90.99 75.69 6.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.005 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.74 -122.82 7.26 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.491 1.12 . . . . 0.0 111.044 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 t 71.44 117.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 0.735 . . . . 0.0 109.958 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.39 79.07 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.011 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.35 160.94 33.66 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 170.62 20.02 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.482 1.78 . . . . 0.0 111.03 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 73.4 t -150.64 140.57 15.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -72.0 -45.54 60.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 109.334 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.67 ' O ' HG13 ' A' ' 38' ' ' VAL . 7.4 t -149.0 104.88 3.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 108.321 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.7 m -86.55 139.99 30.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.034 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.451 ' CG1' HG13 ' A' ' 67' ' ' ILE . 87.6 t -99.64 120.6 49.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.744 HG21 HD23 ' A' ' 49' ' ' LEU . 2.7 mm -99.18 117.37 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -123.59 103.25 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.237 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.043 HG12 HD12 ' A' ' 43' ' ' LEU . 28.6 m -86.69 60.56 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 16' ' ' VAL . 2.5 m-80 172.67 -178.75 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.53 -42.86 3.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -45.0 -45.11 10.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.282 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.469 ' CG2' ' HB2' ' A' ' 72' ' ' GLN . 1.3 p -86.16 49.46 1.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.16 . . . . 0.0 110.347 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -86.9 -54.98 4.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -64.84 -50.96 64.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -51.8 -57.27 9.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.875 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -58.72 -39.09 79.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.9 ' CG ' HD22 ' A' ' 40' ' ' LEU . 2.5 mt-10 -62.01 -13.12 22.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 29' ' ' ARG . 5.7 t -89.01 -66.51 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.99 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.781 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -43.16 -30.76 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.158 . . . . 0.0 109.302 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.704 ' HA2' HG11 ' A' ' 38' ' ' VAL . . . -67.92 -43.24 83.48 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.138 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.505 ' CG ' ' N ' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -68.84 -42.35 77.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 0.0 110.354 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.505 ' N ' ' CG ' ' A' ' 29' ' ' ARG . 0.2 OUTLIER -46.48 -42.43 15.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.972 ' HB ' HG21 ' A' ' 38' ' ' VAL . 51.2 t -69.12 -34.53 63.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 29' ' ' ARG . 7.4 mtm180 -68.67 -31.82 71.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -60.67 -17.54 48.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.7 OUTLIER -92.16 -11.46 35.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.81 28.72 8.61 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.464 1.102 . . . . 0.0 111.022 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.574 ' HB2' HG12 ' A' ' 31' ' ' VAL . 90.0 mtp -113.45 132.19 55.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.53 123.47 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.972 HG21 ' HB ' ' A' ' 31' ' ' VAL . 73.8 t -133.31 149.2 31.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.137 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -140.83 168.61 19.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.9 HD22 ' CG ' ' A' ' 25' ' ' GLU . 0.9 OUTLIER -116.73 127.91 54.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.8 mt -114.0 110.4 31.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.339 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -96.83 133.55 41.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 1.043 HD12 HG12 ' A' ' 16' ' ' VAL . 1.3 mt -120.63 -76.03 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.3 t30 68.87 -67.1 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.477 ' O ' ' C ' ' A' ' 46' ' ' GLU . 44.5 m -130.48 -41.21 1.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.459 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 45' ' ' THR . 1.4 mt-10 -33.1 -77.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.862 HG23 HD22 ' A' ' 43' ' ' LEU . 25.2 m -130.28 -172.3 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -108.19 -178.12 3.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.026 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.744 HD23 HG21 ' A' ' 14' ' ' ILE . 0.5 OUTLIER -58.8 -59.36 5.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 53' ' ' LEU . 83.1 p -44.96 -56.98 4.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.023 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -40.82 -32.15 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.759 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -88.35 -41.3 12.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 50' ' ' SER . 57.9 mt -58.18 -48.37 80.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -56.97 -30.08 63.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.272 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.406 ' HA ' ' CD ' ' A' ' 58' ' ' ARG . 54.9 t0 -82.51 -32.27 28.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 52' ' ' ALA . 75.0 t -58.13 -59.13 3.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 60' ' ' GLY . 0.0 OUTLIER -59.0 -63.37 1.33 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.415 1.072 . . . . 0.0 109.99 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.409 ' CG ' ' N ' ' A' ' 59' ' ' GLY . 19.1 ptt180 -48.41 -36.0 13.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.409 ' N ' ' CG ' ' A' ' 58' ' ' ARG . . . -69.66 -25.94 74.99 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.133 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 57' ' ' SER . . . 113.59 -24.8 11.72 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.602 ' CB ' HG13 ' A' ' 56' ' ' VAL . 2.7 m -39.65 115.42 1.04 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.54 0.788 . . . . 0.0 110.007 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -44.68 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.779 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.454 ' CE1' HG12 ' A' ' 81' ' ' ILE . 11.7 m-30 -115.5 147.21 40.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.676 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -139.37 126.84 21.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.0 mt -94.75 137.22 23.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.475 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 0.5 OUTLIER -102.39 128.65 54.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.581 1.176 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.875 HG21 ' HB2' ' A' ' 24' ' ' ALA . 4.1 mm -126.66 146.04 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.498 HG22 ' ND1' ' A' ' 71' ' ' HIS . 4.6 t -172.29 154.94 3.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.414 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -41.02 -63.81 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.279 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.682 ' HA ' HD12 ' A' ' 73' ' ' ILE . 4.9 tp60 -42.44 -49.11 5.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.32 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.498 ' ND1' HG22 ' A' ' 68' ' ' THR . 6.9 m170 -57.17 -54.44 46.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.635 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.469 ' HB2' ' CG2' ' A' ' 20' ' ' THR . 0.8 OUTLIER -38.67 -40.74 0.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.266 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.682 HD12 ' HA ' ' A' ' 70' ' ' GLN . 7.6 mt -63.62 -52.21 60.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.43 ' N ' ' O ' ' A' ' 71' ' ' HIS . 64.6 m-70 -75.83 -2.15 28.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.611 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 71' ' ' HIS . 0.0 OUTLIER 48.05 26.98 1.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.2 p -124.32 156.08 37.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.7 p -128.08 175.54 8.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 108.294 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 89' ' ' HIS . 93.5 m -116.92 120.23 37.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.414 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.502 HG11 HD21 ' A' ' 100' ' ' LEU . 61.6 t -90.71 116.27 31.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.2 116.23 29.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.454 HG12 ' CE1' ' A' ' 63' ' ' PHE . 27.2 mt -83.93 146.12 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 7.2 mmt -114.93 -27.68 7.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.593 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -91.16 150.09 21.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 53.66 -154.18 7.7 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.489 1.118 . . . . 0.0 110.963 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.411 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 3.1 m -49.93 129.27 21.74 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.515 0.774 . . . . 0.0 110.405 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 85' ' ' THR . 18.3 Cg_endo -75.03 97.85 1.11 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.503 1.791 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -109.45 115.05 29.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -108.05 97.63 7.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.438 1.086 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.53 ' O ' HG23 ' A' ' 78' ' ' THR . 21.8 m-70 -81.64 115.47 20.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.574 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.0 mtp85 -102.25 135.32 44.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.292 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 30.4 m-20 63.47 87.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 19.9 mmm -139.0 130.97 15.41 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 94' ' ' GLN . 18.2 Cg_endo -75.0 143.12 28.68 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.511 1.795 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -38.35 -64.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 110.285 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -38.24 -63.99 0.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -53.95 -49.78 67.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -50.49 -44.13 55.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.43 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 29.9 mmt -63.97 -27.67 69.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -83.05 -44.91 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.502 HD21 HG11 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -63.27 -28.08 69.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.504 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.8 OUTLIER -87.65 -49.6 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.504 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -58.51 -37.09 74.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 9.9 mmm-85 -71.74 -69.17 0.4 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 110.251 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -44.51 -57.84 3.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.549 ' CD2' ' SD ' ' A' ' 36' ' ' MET . 2.9 t80 -40.54 -53.58 2.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 109' ' ' LYS . 3.5 mm-40 -49.6 -70.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -42.7 -57.36 2.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.253 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -48.32 -28.88 3.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 106' ' ' GLU . 3.6 mtmt -81.35 -40.54 23.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.319 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -51.46 -32.8 28.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.335 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -84.37 -26.05 28.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.344 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . 0.4 ' O ' ' N ' ' A' ' 115' ' ' LYS . 68.7 m -61.92 -49.88 74.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 108.342 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.63 -34.42 0.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.52 -50.91 72.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 112' ' ' CYS . 0.0 OUTLIER -79.29 69.09 5.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 117' ' ' ARG . 1.8 mm-40 175.37 175.81 0.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.304 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 116' ' ' GLU . 33.9 mtp180 -35.26 141.58 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -44.25 163.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 121' ' ' ALA . 0.5 OUTLIER -116.36 40.51 2.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.339 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.515 HG22 ' O ' ' A' ' 120' ' ' ILE . 50.6 mt -68.11 69.94 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 119' ' ' GLU . . . -168.43 48.28 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.152 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -172.12 134.43 0.73 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.319 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -126.41 141.41 51.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -172.65 -177.9 1.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 6.3 m -104.81 172.28 6.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.012 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -106.31 108.17 2.87 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.529 1.143 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 178.67 6.95 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 55.8 p -112.18 171.07 7.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.967 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 93.9 p -128.26 173.93 9.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.132 . . . . 0.0 109.993 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.2 p -69.02 157.47 36.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 0.77 . . . . 0.0 109.995 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.6 p -141.61 109.49 5.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.955 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.18 -137.59 2.25 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.464 1.102 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.9 m -172.07 90.9 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 0.745 . . . . 0.0 109.996 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.6 p -172.44 130.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.949 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.45 179.56 22.13 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 145.79 31.98 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.538 1.809 . . . . 0.0 111.03 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 10' ' ' ASP . 51.5 t -140.33 117.76 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 9' ' ' VAL . 0.4 OUTLIER -40.7 -48.16 2.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.352 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.679 ' O ' HG13 ' A' ' 38' ' ' VAL . 25.4 t -148.89 104.83 3.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 108.314 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.83 145.47 24.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.0 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.582 HG21 ' CA ' ' A' ' 28' ' ' GLY . 95.3 t -97.74 129.7 47.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.758 HG21 ' CD2' ' A' ' 49' ' ' LEU . 2.8 mm -109.21 103.62 15.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.594 HG23 ' OG1' ' A' ' 20' ' ' THR . 1.4 p -112.69 97.07 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.314 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.81 HG12 HD12 ' A' ' 43' ' ' LEU . 13.0 m -72.79 -44.05 59.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.449 ' ND2' ' NE2' ' A' ' 69' ' ' GLN . 8.5 m120 -65.83 130.09 42.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.408 ' HB2' ' ND2' ' A' ' 44' ' ' ASN . 2.1 tptt -86.42 49.35 1.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 21' ' ' LYS . 0.6 OUTLIER -138.85 -47.39 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.764 HG21 ' O ' ' A' ' 68' ' ' THR . 41.5 p -69.71 59.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.422 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.471 ' HE3' ' CZ ' ' A' ' 42' ' ' PHE . 3.3 tttt -88.76 -34.89 16.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -90.33 -24.83 20.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.583 ' CE2' ' HA ' ' A' ' 72' ' ' GLN . 11.2 t80 -79.88 -53.21 6.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 111.044 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.403 ' HB2' HG21 ' A' ' 67' ' ' ILE . . . -60.98 -38.99 87.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.854 ' HG2' HD22 ' A' ' 40' ' ' LEU . 4.1 mt-10 -60.36 -13.99 16.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 29' ' ' ARG . 3.7 t -87.1 -69.37 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.045 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.58 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -49.59 -28.52 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.582 ' CA ' HG21 ' A' ' 13' ' ' VAL . . . -70.87 -28.48 70.59 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -91.42 -32.99 15.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 0.781 . . . . 0.0 110.287 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -49.49 -41.13 39.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.941 ' HB ' HG21 ' A' ' 38' ' ' VAL . 55.6 t -69.52 -35.08 64.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -65.44 -31.81 73.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -61.14 -18.81 60.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.488 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.5 OUTLIER -91.06 -11.65 38.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.74 28.84 8.56 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.451 1.095 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.661 ' HB2' HG12 ' A' ' 31' ' ' VAL . 95.4 mtp -112.65 134.21 54.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.784 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 45.2 t -65.66 123.1 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.941 HG21 ' HB ' ' A' ' 31' ' ' VAL . 80.2 t -135.31 150.66 29.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -141.68 167.67 21.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.854 HD22 ' HG2' ' A' ' 25' ' ' GLU . 1.1 mp -113.43 128.55 56.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.8 mt -115.3 104.7 17.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.471 ' CZ ' ' HE3' ' A' ' 21' ' ' LYS . 49.9 m-85 -91.27 125.23 35.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.81 HD12 HG12 ' A' ' 16' ' ' VAL . 1.5 mt -115.1 173.81 6.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.417 ' O ' ' N ' ' A' ' 46' ' ' GLU . 1.7 t-20 179.89 -160.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.0 m -57.0 88.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 110.411 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -171.69 -63.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.428 HG23 ' N ' ' A' ' 48' ' ' SER . 5.8 m -131.06 -156.95 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.428 ' N ' HG23 ' A' ' 47' ' ' VAL . 23.3 t -129.13 -173.81 3.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.538 1.149 . . . . 0.0 109.988 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.758 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.9 OUTLIER -63.64 -58.04 8.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 53' ' ' LEU . 66.4 p -41.5 -55.0 2.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.965 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 50' ' ' SER . 0.8 OUTLIER -38.57 -37.97 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 110.263 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.779 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -81.45 -44.6 17.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.137 . . . . 0.0 109.305 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 50' ' ' SER . 67.2 mt -57.27 -39.92 76.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.143 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -61.81 -32.44 72.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.287 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -84.6 -29.39 25.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 52' ' ' ALA . 79.5 t -60.39 -51.21 75.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 109.251 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 60' ' ' GLY . 0.3 OUTLIER -63.8 -64.07 0.99 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.155 . . . . 0.0 110.023 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.414 ' CG ' ' N ' ' A' ' 59' ' ' GLY . 2.5 ptm180 -48.17 -36.38 13.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.414 ' N ' ' CG ' ' A' ' 58' ' ' ARG . . . -67.1 -28.74 73.85 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 57' ' ' SER . . . 119.34 -28.29 6.61 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.6 ' CB ' HG13 ' A' ' 56' ' ' VAL . 0.4 OUTLIER -40.51 111.7 0.8 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 109.997 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.421 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.2 Cg_endo -75.01 -41.28 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.509 1.794 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.506 ' CD1' HG12 ' A' ' 81' ' ' ILE . 14.8 m-30 -112.9 147.25 37.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.676 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -141.55 124.75 16.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.474 HG23 ' HB2' ' A' ' 77' ' ' CYS . 30.1 mt -95.09 138.44 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.669 HG22 HD11 ' A' ' 49' ' ' LEU . 0.5 OUTLIER -102.97 130.92 52.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.58 HD11 HG11 ' A' ' 27' ' ' VAL . 3.4 mm -129.52 141.27 46.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.764 ' O ' HG21 ' A' ' 20' ' ' THR . 44.8 p -149.62 -147.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.377 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.449 ' NE2' ' ND2' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -90.03 -56.83 3.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -59.5 -46.64 88.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.444 ' CE1' ' CG1' ' A' ' 66' ' ' VAL . 29.7 m170 -49.38 -32.09 10.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.569 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.583 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 4.5 tt0 -66.88 -46.15 75.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.278 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.4 mt -68.25 -50.49 57.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -70.97 -15.16 62.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.583 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 71' ' ' HIS . 2.4 mmm180 59.23 25.48 14.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.337 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.422 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 1.1 p -120.53 143.26 48.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.023 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.474 ' HB2' HG23 ' A' ' 65' ' ' ILE . 1.7 p -122.61 175.54 6.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 108.323 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.584 HG23 ' O ' ' A' ' 89' ' ' HIS . 50.7 m -115.44 115.03 25.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 86.6 t -90.37 118.61 35.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -117.16 121.08 40.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.506 HG12 ' CD1' ' A' ' 63' ' ' PHE . 39.3 mt -86.45 144.47 9.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 62' ' ' PRO . 11.0 mmt -106.26 -27.14 11.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.549 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -102.02 151.14 22.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.953 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.62 -175.83 36.66 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 110.972 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.722 HG23 ' HD2' ' A' ' 86' ' ' PRO . 2.6 m -41.11 146.44 0.5 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.542 0.79 . . . . 0.0 110.45 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.722 ' HD2' HG23 ' A' ' 85' ' ' THR . 18.4 Cg_endo -74.99 101.14 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.513 1.796 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -115.46 120.65 40.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -114.02 109.0 17.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.584 ' O ' HG23 ' A' ' 78' ' ' THR . 82.8 m-70 -95.64 111.81 23.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.591 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -100.65 139.18 36.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.282 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 51.34 96.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.465 ' CE ' ' HB3' ' A' ' 96' ' ' ASP . 14.3 mmm -140.92 133.34 14.24 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 92' ' ' MET . 18.4 Cg_endo -74.98 140.6 25.69 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.472 1.775 . . . . 0.0 111.025 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 95' ' ' ALA . 0.3 OUTLIER -37.08 -66.37 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -37.29 -57.08 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.465 ' HB3' ' CE ' ' A' ' 92' ' ' MET . 0.4 OUTLIER -54.22 -60.65 3.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -44.87 -47.5 11.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.451 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 31.3 mmt -58.57 -32.59 69.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 111.038 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 96' ' ' ASP . 0.4 OUTLIER -81.5 -43.36 20.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.431 ' O ' ' ND2' ' A' ' 104' ' ' ASN . 0.1 OUTLIER -65.18 -29.49 70.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.493 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.7 OUTLIER -85.97 -49.06 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.493 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -60.74 -35.85 77.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.427 ' NH1' ' HB3' ' A' ' 103' ' ' ARG . 1.4 mmm180 -72.85 -62.13 1.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 110.329 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 100' ' ' LEU . 3.8 m-80 -51.58 -54.09 31.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.46 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 8.8 t80 -40.55 -54.14 2.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -44.96 -56.94 4.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 110' ' ' ASN . 0.0 OUTLIER -61.61 -54.6 40.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -42.82 -36.59 1.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt -71.83 -44.43 63.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 107' ' ' ARG . 34.3 m-20 -47.09 -35.54 7.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -93.21 -25.12 17.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.28 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 9.3 t -60.98 -66.7 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 108.328 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.52 -49.54 2.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.339 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -44.19 -85.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.301 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 77.99 134.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -40.86 122.4 1.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 62.93 132.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -44.37 167.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 110.278 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -112.23 39.66 2.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.574 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 2.5 mp -40.82 133.31 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 120' ' ' ILE . . . 75.36 95.22 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 7.5 tpp85 -54.59 124.89 17.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.133 . . . . 0.0 110.263 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -44.99 -60.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -149.85 173.46 13.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.55 -59.57 1.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.022 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 148.4 97.16 0.18 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.489 1.118 . . . . 0.0 111.045 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 163.8 34.63 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.444 1.76 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 38.0 t -176.38 -55.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.036 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.46 141.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.05 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.99 115.21 18.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 110.028 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.5 t -168.9 152.97 5.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.586 1.179 . . . . 0.0 110.027 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.73 82.1 1.59 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.1 p -125.93 131.53 52.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 0.761 . . . . 0.0 110.04 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.2 p -80.91 98.06 7.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.031 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.85 158.73 9.83 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.443 1.089 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 175.97 10.54 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.433 1.754 . . . . 0.0 110.964 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.6 t -128.34 111.6 24.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -41.32 -41.17 1.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.495 ' O ' HG13 ' A' ' 38' ' ' VAL . 7.8 t -148.94 111.46 4.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 108.302 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.7 m -96.76 134.03 40.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 109.999 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.5 t -91.74 122.46 43.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.717 HG21 ' CD2' ' A' ' 49' ' ' LEU . 2.0 mm -104.68 99.58 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -110.75 99.59 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.95 HG12 HD12 ' A' ' 43' ' ' LEU . 10.7 m -79.72 61.23 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 173.44 176.27 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 109.306 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -113.72 -34.49 5.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.424 ' NE2' ' O ' ' A' ' 19' ' ' GLN . 0.1 OUTLIER -49.36 -48.34 46.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 110.32 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.39 55.16 3.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.388 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.511 ' O ' ' CG ' ' A' ' 25' ' ' GLU . 3.3 tttt -88.57 -69.14 0.72 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -47.84 -43.84 28.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.641 ' HE2' HG23 ' A' ' 67' ' ' ILE . 36.5 t80 -58.87 -65.79 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.142 . . . . 0.0 111.029 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.96 -40.69 44.69 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.56 1.162 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 4.2 mm-40 -54.5 -27.77 40.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 0.0 110.265 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 29' ' ' ARG . 6.1 t -77.05 -65.06 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.996 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.734 HG11 HD11 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -49.18 -29.22 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.575 ' O ' HG11 ' A' ' 38' ' ' VAL . . . -77.6 -27.81 58.46 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -91.74 -27.81 17.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 0.737 . . . . 0.0 110.283 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.8 mmtt -59.6 -36.72 76.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.963 ' HB ' HG21 ' A' ' 38' ' ' VAL . 74.2 t -72.09 -28.59 30.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -72.23 -32.12 66.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -59.95 -19.78 53.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 31' ' ' VAL . 0.7 OUTLIER -89.12 -11.2 44.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.46 21.66 23.85 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.545 1.153 . . . . 0.0 111.025 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.418 ' CE ' HG22 ' A' ' 101' ' ' VAL . 91.5 mtp -105.1 136.05 45.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 0.762 . . . . 0.0 111.044 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.2 t -66.51 123.01 18.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.963 HG21 ' HB ' ' A' ' 31' ' ' VAL . 97.4 t -132.66 148.86 31.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -135.91 168.32 19.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.283 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.504 HD21 ' HG2' ' A' ' 25' ' ' GLU . 0.3 OUTLIER -121.42 123.93 43.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.7 mt -111.97 114.09 46.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.426 ' CE2' HD23 ' A' ' 40' ' ' LEU . 37.5 m-85 -99.43 125.99 45.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 111.052 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.95 HD12 HG12 ' A' ' 16' ' ' VAL . 1.5 mt -120.11 73.79 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.251 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 31.3 m-20 -74.66 -59.21 2.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.733 HG22 ' O ' ' A' ' 45' ' ' THR . 2.1 m -148.37 52.3 1.01 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 110.366 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -106.94 -83.75 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.328 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.74 HG11 ' HG3' ' A' ' 51' ' ' GLN . 0.6 OUTLIER -133.22 -143.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.249 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.0 m -108.21 -177.66 3.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.965 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.717 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.5 OUTLIER -70.01 -59.3 2.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 95.4 p -43.09 -45.31 5.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 109.955 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.74 ' HG3' HG11 ' A' ' 47' ' ' VAL . 0.6 OUTLIER -47.44 -36.29 9.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.286 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.752 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -78.68 -40.89 32.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.2 mt -60.92 -32.19 71.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -69.36 -30.57 68.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 110.325 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -83.36 -24.63 31.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.77 HG11 ' HB2' ' A' ' 64' ' ' ALA . 69.5 t -65.93 -51.08 65.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.83 -61.4 2.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.006 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.414 ' HG2' ' N ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER -54.99 -36.53 65.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.414 ' N ' ' HG2' ' A' ' 58' ' ' ARG . . . -66.88 -29.65 74.97 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.63 -29.03 6.23 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.752 ' CB ' HG13 ' A' ' 56' ' ' VAL . 0.9 OUTLIER -39.03 115.27 0.92 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.482 0.754 . . . . 0.0 110.004 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.421 ' O ' ' N ' ' A' ' 82' ' ' MET . 18.4 Cg_endo -74.93 -40.92 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.524 1.802 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.522 ' CD1' HG12 ' A' ' 81' ' ' ILE . 11.4 m-30 -116.65 153.43 32.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.77 ' HB2' HG11 ' A' ' 56' ' ' VAL . . . -142.91 123.35 13.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 15.5 mt -94.82 132.94 37.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.531 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 0.8 OUTLIER -101.38 132.66 46.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.734 HD11 HG11 ' A' ' 27' ' ' VAL . 4.4 mm -126.32 154.82 36.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.439 HG22 ' CG ' ' A' ' 71' ' ' HIS . 3.7 t -175.13 162.86 3.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.397 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.1 -64.77 0.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 73' ' ' ILE . 1.1 tp60 -51.09 -58.57 5.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.531 ' CE1' ' CG1' ' A' ' 66' ' ' VAL . 16.0 m170 -42.65 -31.1 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.649 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -71.37 -46.32 60.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 70' ' ' GLN . 14.7 mt -63.06 -40.18 88.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -89.08 -4.86 58.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.599 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 71' ' ' HIS . 5.8 mtp180 49.87 29.86 3.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.501 ' O ' ' CD2' ' A' ' 71' ' ' HIS . 1.1 p -122.55 143.3 49.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.04 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.479 ' HB3' HD13 ' A' ' 67' ' ' ILE . 1.8 p -124.62 174.2 8.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.128 . . . . 0.0 108.294 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.819 HG23 ' O ' ' A' ' 89' ' ' HIS . 40.1 m -112.45 112.66 24.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.421 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 92.0 t -90.37 114.08 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.359 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -112.65 126.69 55.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.522 HG12 ' CD1' ' A' ' 63' ' ' PHE . 22.3 mt -88.54 145.77 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 62' ' ' PRO . 7.0 mmt -112.78 -27.88 7.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.591 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -94.97 151.72 18.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.982 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 52.61 -159.56 3.14 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.2 m -45.76 119.23 4.59 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 0.0 110.396 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 105.18 2.03 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.499 1.789 . . . . 0.0 110.998 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -110.77 120.34 42.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -97.33 104.32 16.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.568 1.168 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.819 ' O ' HG23 ' A' ' 78' ' ' THR . 84.9 m-70 -90.98 111.14 22.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.628 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -99.02 131.17 45.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 110.256 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 54.48 100.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.412 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 14.7 mmm -138.43 137.35 20.29 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 92' ' ' MET . 18.3 Cg_endo -74.96 139.53 24.51 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.543 1.812 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.545 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 0.0 OUTLIER -38.32 -68.71 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.266 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 98' ' ' MET . . . -38.39 -68.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.401 ' O ' HG12 ' A' ' 99' ' ' VAL . 68.4 t0 -47.39 -41.69 20.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 94' ' ' GLN . . . -60.56 -35.46 76.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 95' ' ' ALA . 31.6 mmt -73.72 -31.79 63.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.501 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 0.4 OUTLIER -79.79 -40.19 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.99 -32.76 74.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 102' ' ' ALA . 0.7 OUTLIER -83.48 -48.12 17.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.475 ' N ' ' CG1' ' A' ' 101' ' ' VAL . . . -61.07 -32.21 71.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.501 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 7.3 mmm-85 -75.54 -69.09 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 110.249 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -44.89 -49.83 10.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.44 ' CB ' ' O ' ' A' ' 101' ' ' VAL . 17.4 t80 -43.36 -55.63 3.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -44.4 -55.66 4.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.35 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.407 ' HA ' ' ND2' ' A' ' 110' ' ' ASN . 0.0 OUTLIER -64.16 -54.1 39.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.415 ' CZ ' ' HG3' ' A' ' 62' ' ' PRO . 8.8 t80 -40.47 -49.93 2.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.105 . . . . 0.0 110.995 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 112' ' ' CYS . 3.2 mtmt -58.54 -50.37 74.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.407 ' ND2' ' HA ' ' A' ' 107' ' ' ARG . 23.3 m-20 -47.67 -30.51 3.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -93.73 -25.66 17.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . 0.414 ' N ' ' O ' ' A' ' 109' ' ' LYS . 23.7 t -72.56 -67.86 0.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 108.267 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -43.61 -60.74 1.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 63.19 129.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -46.52 -50.49 17.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 117' ' ' ARG . 26.5 mt-10 -149.99 105.65 3.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.123 . . . . 0.0 110.322 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -36.39 139.72 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 110.322 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -45.79 159.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.287 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -104.7 36.99 2.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.487 HD13 ' HA ' ' A' ' 120' ' ' ILE . 7.2 mm -40.09 124.24 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -118.75 72.85 0.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 109.273 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -171.92 103.66 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.296 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.402 ' O ' ' HB2' ' A' ' 124' ' ' ALA . 37.1 tt0 -127.43 161.7 28.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.402 ' HB2' ' O ' ' A' ' 123' ' ' GLN . . . -179.3 68.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -99.96 122.61 43.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 179.34 155.57 15.33 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.11 . . . . 0.0 111.044 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 156.71 42.88 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.5 1.789 . . . . 0.0 110.961 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.54 -55.41 4.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.988 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 35.8 p -77.79 142.15 38.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.963 . . . . . . . . 0 0 . 1 stop_ save_