data_1m0j_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 1m0j _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 27' ' ' THR . 3.5 t . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -47.82 -26.81 1.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 110.337 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 73.0 m -61.17 -60.84 3.12 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.64 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 77.6 p -72.79 -32.54 65.65 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.52 1.137 . . . . 0.0 110.041 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -73.74 0.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.2 t -43.52 -51.86 6.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 110.001 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 120.73 -28.81 6.05 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.1 m -121.2 102.64 8.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 0.743 . . . . 0.0 110.46 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -54.6 152.56 6.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 108.322 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -146.69 54.41 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 61.8 m -103.54 38.75 1.73 Allowed 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.566 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.63 95.43 2.08 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.427 1.079 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 126.14 -80.57 0.36 Allowed Glycine 0 CA--C 1.531 1.072 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.11 146.5 52.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.568 0.805 . . . . 0.0 109.978 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.1 t -90.54 140.01 30.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.148 . . . . 0.0 108.293 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 75.0 p -132.91 -41.75 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.438 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.2 p -53.68 167.69 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 108.316 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.414 HG23 ' N ' ' A' ' 28' ' ' ASN . 22.5 m -110.28 162.26 14.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.581 1.175 . . . . 0.0 110.382 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.414 ' N ' HG23 ' A' ' 27' ' ' THR . 92.2 m-20 44.72 61.1 2.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.113 . . . . 0.0 109.213 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.0 t -94.45 176.05 6.44 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.631 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.5 t -170.45 45.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.42 1.075 . . . . 0.0 110.008 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 2.0 m -106.57 149.93 26.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 108.218 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.78 -5.8 59.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.388 1.055 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.02 6.13 43.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.974 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.2 p -144.28 -48.34 0.27 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 108.307 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.6 tttt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 109.366 179.973 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 22.2 p . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -111.73 81.08 1.4 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.479 1.112 . . . . 0.0 110.339 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.513 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 69.1 m -48.17 -55.5 10.22 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.578 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.4 t -127.15 0.5 6.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.434 1.084 . . . . 0.0 110.003 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 72.01 -59.22 0.56 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.0 p -38.7 -34.68 0.15 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.9 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 117.49 34.5 1.19 Allowed Glycine 0 CA--C 1.528 0.894 0 O-C-N 124.505 1.128 . . . . 0.0 111.055 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.8 m -150.48 117.47 5.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 0.729 . . . . 0.0 110.504 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.513 ' HA ' ' CB ' ' A' ' 12' ' ' CYS . 3.5 t -55.75 129.94 41.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 108.355 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -144.2 52.45 1.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 89.7 m -88.12 33.17 0.74 Allowed 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.575 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.49 -33.27 8.1 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.553 1.158 . . . . 0.0 111.058 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -95.16 -55.85 1.34 Allowed Glycine 0 CA--C 1.529 0.945 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.55 144.12 12.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 0.749 . . . . 0.0 109.982 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.6 t -87.19 142.99 27.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 108.357 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 74.2 p -120.02 -7.91 9.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.399 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.427 ' SG ' ' HA ' ' A' ' 12' ' ' CYS . 0.1 OUTLIER -99.78 140.24 34.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 108.251 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.2 t -86.07 -31.09 22.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.54 1.15 . . . . 0.0 110.431 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -117.62 67.63 0.75 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.391 1.057 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 5.1 t -71.43 171.61 10.95 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.674 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 t -167.98 53.29 0.06 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.493 1.121 . . . . 0.0 110.043 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.3 p -126.33 167.49 15.44 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.425 1.078 . . . . 0.0 108.312 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.82 -7.66 42.7 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.35 12.61 26.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.404 1.065 . . . . 0.0 110.039 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 35.0 t -130.45 -49.18 1.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 108.296 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.1 mttt . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.6 t . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -80.23 62.3 4.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.088 . . . . 0.0 110.253 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.1 m -60.1 -63.81 1.17 Allowed 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.56 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.47 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 47.5 p -96.92 -6.58 35.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.985 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 13' ' ' SER . 0.0 OUTLIER 85.24 -54.98 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.36 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 14' ' ' LYS . 14.5 p -38.14 -31.62 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.108 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 14' ' ' LYS . . . 117.12 32.0 1.61 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.465 1.103 . . . . 0.0 111.058 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.406 ' O ' ' OG ' ' A' ' 13' ' ' SER . 2.1 t -147.83 131.76 17.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.429 0.723 . . . . 0.0 110.381 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.0 t -55.33 139.13 43.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 108.315 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -146.19 52.95 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.092 . . . . 0.0 109.305 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 89.0 m -104.84 36.68 2.36 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.567 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -93.92 74.07 1.13 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 146.4 -67.92 0.4 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.39 144.89 33.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 0.747 . . . . 0.0 109.97 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.4 t -99.87 139.3 35.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 108.256 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.8 t -125.35 -36.48 2.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.419 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.8 p -67.08 168.24 10.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 108.337 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 88.4 m -113.13 175.31 5.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 110.358 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.7 m120 41.6 46.64 3.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.402 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 3.9 t -95.36 171.98 8.38 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.601 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 t -175.15 68.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.58 1.175 . . . . 0.0 110.003 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.402 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 0.7 OUTLIER -121.11 -73.27 0.65 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 108.258 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.445 ' O ' ' CB ' ' A' ' 33' ' ' SER . 0.1 OUTLIER -178.51 137.12 0.16 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 0.0 109.282 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.445 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 0.4 OUTLIER 81.09 9.31 1.02 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.013 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.48 -56.87 2.31 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.414 1.071 . . . . 0.0 108.298 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.959 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.44 ' HA ' ' CB ' ' A' ' 14' ' ' LYS . 10.8 mt-10 -92.58 21.34 5.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.9 m -67.77 -71.2 0.22 Allowed 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.579 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.488 ' HA ' ' CA ' ' A' ' 17' ' ' THR . 34.6 p -90.18 -0.51 57.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 110.01 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.44 ' CB ' ' HA ' ' A' ' 11' ' ' GLU . 2.0 tptt -49.1 -53.42 20.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.6 t -62.06 -21.62 65.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.016 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 146.39 -23.69 1.7 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.488 ' CA ' ' HA ' ' A' ' 13' ' ' SER . 0.8 OUTLIER -178.92 138.15 0.15 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.449 0.735 . . . . 0.0 110.299 -179.851 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 17' ' ' THR . 11.2 t -41.61 129.76 3.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 108.324 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -142.5 52.4 1.43 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 1.116 . . . . 0.0 109.38 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 92.8 m -84.35 14.2 4.64 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.655 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.77 40.9 2.32 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.495 1.122 . . . . 0.0 110.937 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -162.42 -50.23 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -176.37 94.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 0.0 110.011 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.422 ' HB2' ' CB ' ' A' ' 34' ' ' CYS . 10.5 t -43.49 147.11 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 108.268 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 74.7 p -121.69 -31.75 3.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.405 1.066 . . . . 0.0 110.438 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.412 ' CB ' ' HB2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -76.49 140.78 41.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.135 . . . . 0.0 108.343 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.26 -57.98 3.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.596 1.185 . . . . 0.0 110.439 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -84.28 56.08 3.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 9.0 t -95.18 170.86 9.1 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.636 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.6 t -165.43 49.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 110.04 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -89.62 -91.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 108.321 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -178.99 139.59 0.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.22 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.4 t 73.45 6.91 5.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.585 1.178 . . . . 0.0 110.075 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.422 ' CB ' ' HB2' ' A' ' 24' ' ' CYS . 5.9 p -124.84 -49.03 1.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 108.223 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.925 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.54 61.86 0.24 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.252 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.75 -72.47 0.21 Allowed 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.585 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 16' ' ' GLY . 96.5 p -114.92 15.73 17.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.913 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.23 -59.63 2.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.39 -23.51 6.13 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 110.026 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 13' ' ' SER . . . 117.56 28.58 2.28 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 179.4 126.38 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 0.736 . . . . 0.0 110.425 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -48.24 133.63 15.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 108.308 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -91.32 16.34 10.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 0.0 109.278 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.8 m -102.43 39.44 1.51 Allowed 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.089 -0.96 . . . . 0.0 109.603 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -118.18 59.22 0.5 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.569 1.168 . . . . 0.0 111.084 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 140.95 -53.42 0.66 Allowed Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -158.92 97.69 1.43 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.54 0.788 . . . . 0.0 109.978 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.472 ' CB ' ' HB3' ' A' ' 34' ' ' CYS . 20.0 t -41.96 148.49 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 108.213 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.6 t -120.23 -10.18 9.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.424 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -101.98 158.49 16.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 108.321 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 74.9 m -104.06 173.64 6.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 110.34 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 44.87 34.36 1.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 7.6 t -90.58 170.47 10.15 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.643 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -157.78 34.51 0.26 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.434 1.084 . . . . 0.0 110.01 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -78.1 -90.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 108.291 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -163.11 141.99 8.45 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.503 1.127 . . . . 0.0 109.354 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.1 m 74.3 6.15 4.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.593 1.183 . . . . 0.0 109.987 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.472 ' HB3' ' CB ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -119.35 -49.42 2.37 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.551 1.157 . . . . 0.0 108.372 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.7 tttt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.8 t . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -116.96 -8.83 11.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.0 m -59.66 -61.02 2.93 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.598 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.4 t -81.99 -32.92 30.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.43 1.081 . . . . 0.0 109.952 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -73.43 -91.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 1.172 . . . . 0.0 109.2 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 t -39.98 -49.79 2.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.991 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.64 30.71 6.05 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.409 1.068 . . . . 0.0 110.924 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.472 ' O ' ' CG2' ' A' ' 17' ' ' THR . 0.9 OUTLIER -143.26 81.09 1.7 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.525 0.779 . . . . 0.0 110.381 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.3 t -54.04 137.38 39.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.412 1.07 . . . . 0.0 108.284 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -139.95 47.61 1.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 64.5 m -107.53 42.6 1.3 Allowed 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.601 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -99.98 50.53 1.1 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.459 1.099 . . . . 0.0 110.905 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.07 -54.8 0.38 Allowed Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.49 147.87 32.64 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.407 0.71 . . . . 0.0 109.961 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.8 t -103.87 141.64 35.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 108.286 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.0 p -119.22 -19.71 8.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.481 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -92.74 157.61 16.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 108.324 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -106.58 -39.74 5.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.405 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -84.15 58.86 4.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.441 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -93.87 -176.87 4.17 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.664 179.854 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.48 ' O ' ' C ' ' A' ' 31' ' ' CYS . 1.5 t -176.69 -27.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.008 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.48 ' C ' ' O ' ' A' ' 30' ' ' SER . 1.6 p -35.9 134.54 0.37 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 108.354 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -68.44 -12.65 61.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 0.0 109.246 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.55 11.74 12.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.993 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.2 t -108.69 -63.43 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 108.277 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.9 mtpt . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.239 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.0 t . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -45.72 -26.16 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 110.291 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 69.6 m -56.31 -57.65 11.34 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.673 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.2 t -82.19 -30.12 31.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.441 1.088 . . . . 0.0 109.953 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -59.84 4.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.7 t -51.94 -45.1 64.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.922 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 131.46 -33.69 2.72 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.531 1.144 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 m -135.75 113.1 10.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 0.788 . . . . 0.0 110.406 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -47.39 100.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 108.289 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -94.58 21.69 7.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.568 1.168 . . . . 0.0 109.234 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.471 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -110.02 -7.25 14.96 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.608 179.785 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -42.33 -45.98 5.39 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.558 1.161 . . . . 0.0 110.985 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -92.99 -77.91 1.39 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.22 109.53 21.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.757 . . . . 0.0 110.085 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 47.7 t -86.86 161.77 18.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 108.311 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.8 t -161.47 -41.68 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.56 1.162 . . . . 0.0 110.36 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -48.65 135.71 14.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 108.308 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.88 -48.69 11.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.377 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -84.27 56.85 3.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.4 t -95.71 173.17 7.61 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.615 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.8 t -175.04 34.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.941 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.455 ' O ' ' CB ' ' A' ' 32' ' ' LYS . 1.7 m -68.95 -98.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 108.344 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 31' ' ' CYS . 5.0 mtmt 166.33 -30.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.98 14.87 5.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.989 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.5 p -133.9 -51.62 0.84 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.398 1.061 . . . . 0.0 108.26 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.4 mttt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.42 1.075 . . . . 0.0 109.218 -179.928 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.3 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -120.56 82.95 1.98 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.255 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -91.05 -75.74 0.46 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.626 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.54 ' O ' ' C ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -120.05 20.14 12.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 110.027 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.54 ' C ' ' O ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -29.03 -43.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 13' ' ' SER . 0.1 OUTLIER -36.37 -31.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.911 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 17' ' ' THR . . . -158.31 45.33 0.47 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.498 ' CB ' ' O ' ' A' ' 16' ' ' GLY . 0.5 OUTLIER 82.96 137.47 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 0.746 . . . . 0.0 110.437 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' THR . 0.5 OUTLIER -41.08 154.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 108.328 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -147.19 57.01 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.578 1.174 . . . . 0.0 109.299 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.448 ' CB ' ' HB3' ' A' ' 34' ' ' CYS . 2.2 m -87.12 31.78 0.71 Allowed 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.946 -1.024 . . . . 0.0 109.572 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -37.31 -81.96 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.569 1.168 . . . . 0.0 111.056 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.47 -139.98 0.06 OUTLIER Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.89 148.69 31.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.764 . . . . 0.0 110.047 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 93.1 m -59.68 131.37 50.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 108.265 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.5 t -112.79 -28.49 7.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.401 1.063 . . . . 0.0 110.413 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -74.46 169.66 17.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 108.255 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.6 m -103.03 140.13 37.69 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.47 1.106 . . . . 0.0 110.393 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 56.07 73.6 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.356 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.436 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 3.8 t -95.31 170.89 9.06 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.615 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.7 t -176.05 63.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.972 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.436 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -118.97 145.81 45.5 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.453 1.096 . . . . 0.0 108.336 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.87 -13.78 52.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.414 1.071 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.47 14.86 19.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.12 . . . . 0.0 110.018 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.448 ' HB3' ' CB ' ' A' ' 20' ' ' CYS . 19.8 p -144.24 -48.69 0.27 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 108.273 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 12' ' ' CYS . 3.8 p . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 15' ' ' SER . 2.1 mp0 -36.88 -31.9 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.501 1.126 . . . . 0.0 110.332 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 10' ' ' CYS . 56.4 m -50.37 -51.88 42.07 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.61 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.7 t -101.46 15.23 29.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.085 . . . . 0.0 109.995 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.2 -70.77 0.77 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 11' ' ' GLU . 0.6 OUTLIER -42.94 -48.93 5.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 134.29 103.55 0.79 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.546 1.154 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 73.54 148.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 110.424 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -105.45 150.32 25.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 108.364 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -146.66 54.6 1.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.233 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 69.6 m -95.88 33.38 1.69 Allowed 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.528 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.9 60.23 3.51 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 155.14 -65.77 0.32 Allowed Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.55 163.47 30.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 0.773 . . . . 0.0 110.027 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.0 t -98.92 142.99 29.73 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.483 1.114 . . . . 0.0 108.258 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.3 p -120.8 -33.81 3.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.369 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -82.26 -176.02 5.97 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.564 1.165 . . . . 0.0 108.323 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.435 ' N ' ' SG ' ' A' ' 26' ' ' CYS . 1.3 t -117.17 164.2 15.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.37 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 27' ' ' THR . 33.5 m-20 39.58 62.6 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.438 1.086 . . . . 0.0 109.344 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.439 ' O ' ' CD ' ' A' ' 35' ' ' LYS . 2.6 t -94.92 175.82 6.5 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.584 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.7 t -174.4 33.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.616 1.198 . . . . 0.0 110.026 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.542 ' O ' ' CB ' ' A' ' 32' ' ' LYS . 16.8 m -75.64 -76.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 108.326 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.542 ' CB ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER 160.45 146.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.409 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.51 7.29 6.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.968 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.7 p -127.99 -45.81 1.41 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.528 1.143 . . . . 0.0 108.284 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.439 ' CD ' ' O ' ' A' ' 29' ' ' CYS . 5.2 tttt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.6 t . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -89.97 81.42 6.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.081 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.403 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 58.5 m -74.7 -72.0 0.31 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.593 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.3 t -115.12 -37.52 4.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.976 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.5 ' O ' ' C ' ' A' ' 15' ' ' SER . 2.9 tttm 79.77 -48.73 0.37 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.558 1.161 . . . . 0.0 109.378 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.5 ' C ' ' O ' ' A' ' 14' ' ' LYS . 1.7 t -31.39 -43.33 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.996 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 17' ' ' THR . . . 164.51 99.53 0.14 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.458 1.099 . . . . 0.0 110.947 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.425 ' CB ' ' O ' ' A' ' 16' ' ' GLY . 0.5 OUTLIER 77.75 149.53 0.1 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.525 0.78 . . . . 0.0 110.383 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -52.23 161.37 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.393 1.058 . . . . 0.0 108.331 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.438 ' N ' ' SG ' ' A' ' 18' ' ' CYS . 4.7 t-20 -154.47 59.03 0.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 61.2 m -94.3 32.15 1.59 Allowed 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.636 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.45 -67.75 1.51 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.49 -74.89 0.24 Allowed Glycine 0 CA--C 1.531 1.088 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -158.19 126.82 5.5 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.56 0.8 . . . . 0.0 110.052 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.9 t -62.42 136.85 58.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 108.332 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.4 t -126.52 -40.22 1.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 110.407 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.403 ' SG ' ' HA ' ' A' ' 12' ' ' CYS . 1.2 p -52.71 171.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.637 1.211 . . . . 0.0 108.328 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.3 t -117.75 150.0 39.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.481 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 57.74 53.71 6.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.385 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 5.0 t -95.63 171.13 8.86 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.492 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.7 t -172.73 60.45 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 110.007 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 97.8 m -94.43 -94.88 0.17 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 108.347 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -176.35 -37.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 m -73.12 -0.02 12.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.029 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.6 p -128.54 -47.52 1.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 108.312 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.419 1.074 . . . . 0.0 109.294 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 p . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -88.71 49.42 1.78 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.527 1.142 . . . . 0.0 110.256 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -87.47 -51.87 5.68 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.631 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.83 -33.2 8.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 109.988 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.87 -63.26 1.21 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.251 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.8 t -42.8 -53.67 4.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.044 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 141.29 -46.19 0.92 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.458 1.098 . . . . 0.0 111.013 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.7 m -123.01 101.08 7.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 110.424 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -45.95 111.34 0.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 108.343 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -99.72 27.19 5.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.604 1.19 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.47 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -106.47 -7.11 17.71 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.587 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -38.29 -46.67 1.98 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.459 1.099 . . . . 0.0 111.021 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -102.54 -89.16 2.08 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.11 109.15 5.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.356 0.68 . . . . 0.0 109.915 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 39.9 t -105.55 141.38 37.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 1.076 . . . . 0.0 108.274 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.2 p -135.84 -41.21 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.4 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -49.01 150.95 1.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 108.279 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -100.45 -43.1 6.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.356 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -84.83 58.25 4.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 t -93.13 177.72 5.97 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.571 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.8 t -165.48 31.16 0.06 Allowed 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.465 1.103 . . . . 0.0 109.947 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 73.7 m -96.16 142.89 27.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 108.393 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.31 -41.6 14.43 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.8 -12.23 16.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.078 . . . . 0.0 110.033 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -106.35 -18.77 13.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.584 1.177 . . . . 0.0 108.318 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.338 179.955 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.8 t . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.401 ' HA ' ' CB ' ' A' ' 14' ' ' LYS . 1.1 mp0 -54.44 -19.61 6.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.284 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 20' ' ' CYS . 18.7 m -49.69 -50.37 43.96 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.556 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.0 t -83.08 -22.74 33.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.085 . . . . 0.0 109.937 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.401 ' CB ' ' HA ' ' A' ' 11' ' ' GLU . 0.6 OUTLIER -50.76 -59.72 3.8 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.498 1.124 . . . . 0.0 109.369 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 61.7 p -60.06 -34.95 74.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 110.009 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.03 -26.22 6.84 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.523 1.139 . . . . 0.0 111.069 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.8 m -133.26 120.9 21.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 0.737 . . . . 0.0 110.356 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.412 ' O ' ' SG ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -63.45 91.21 0.05 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.515 1.134 . . . . 0.0 108.285 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 19' ' ' ASN . 14.2 t-20 -93.13 22.68 4.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.487 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -92.24 -3.41 55.54 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.649 179.867 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.1 84.83 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.446 1.091 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 20' ' ' CYS . . . 143.71 -106.93 0.44 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.25 94.18 4.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.469 0.746 . . . . 0.0 110.055 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.479 ' CB ' ' HB2' ' A' ' 20' ' ' CYS . 11.7 p -101.32 162.58 12.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 108.347 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.5 p -115.65 -21.4 9.7 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.421 1.076 . . . . 0.0 110.396 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -49.8 144.18 6.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 108.268 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.81 -43.68 7.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.621 1.201 . . . . 0.0 110.377 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -84.5 57.88 4.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.225 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 t -95.08 174.31 7.14 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.635 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.8 t -164.25 37.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.97 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -118.87 -150.44 0.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 108.28 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.427 ' C ' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -124.16 -158.8 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.221 -179.898 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 47.84 22.05 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.427 ' N ' ' C ' ' A' ' 32' ' ' LYS . 27.7 p -157.17 -47.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 0.0 108.286 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.2 tttp . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.337 179.908 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 53.5 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -94.79 59.43 2.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 0.0 110.315 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 90.4 m -62.8 -69.25 0.27 Allowed 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.586 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.1 p -117.41 -12.29 10.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.414 1.071 . . . . 0.0 109.98 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 15' ' ' SER . 0.3 OUTLIER 71.39 -58.47 0.58 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.625 1.203 . . . . 0.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 14' ' ' LYS . 43.4 t -36.51 -56.91 0.79 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.535 1.147 . . . . 0.0 110.027 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 162.61 -47.67 0.33 Allowed Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.435 1.084 . . . . 0.0 111.011 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.9 m -82.4 94.88 7.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 0.791 . . . . 0.0 110.448 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.419 ' O ' ' SG ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -47.68 108.46 0.16 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.566 1.166 . . . . 0.0 108.248 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -96.03 24.9 5.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.401 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.526 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -89.43 -3.22 58.5 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.566 179.872 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 20' ' ' CYS . . . -33.4 -48.68 0.47 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.563 1.164 . . . . 0.0 111.018 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 20' ' ' CYS . . . -93.05 -145.92 18.2 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.24 94.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 110.038 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.453 ' CB ' ' HB2' ' A' ' 20' ' ' CYS . 27.7 p -80.99 155.09 26.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 108.279 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.4 t -128.68 17.07 6.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.578 1.174 . . . . 0.0 110.405 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.5 p -87.57 166.08 14.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 108.25 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 98.6 m -103.2 154.32 19.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.369 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 46.49 70.23 0.41 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.356 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.3 t -95.72 172.37 8.08 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.523 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.96 58.03 0.1 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.507 1.129 . . . . 0.0 109.946 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 70.7 m -123.39 136.83 54.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 108.309 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.86 -5.2 44.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.84 10.65 25.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.035 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 17.3 p -148.52 -47.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 108.214 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.23 -179.88 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.441 ' SG ' ' HA ' ' A' ' 29' ' ' CYS . 3.6 t . . . . . 0 CA--C 1.532 0.261 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.5 44.19 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 110.277 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.4 m -69.58 -77.05 0.09 Allowed 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.043 -0.981 . . . . 0.0 109.602 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 17' ' ' THR . 5.0 p -122.34 -27.33 4.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.003 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 15' ' ' SER . 0.7 OUTLIER 79.37 -55.67 0.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 14' ' ' LYS . 40.5 t -39.36 -53.85 1.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.172 . . . . 0.0 110.023 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 162.23 -27.75 0.26 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.387 1.055 . . . . 0.0 110.968 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.466 ' O ' ' CB ' ' A' ' 13' ' ' SER . 10.6 t -115.97 113.86 23.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 110.408 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.413 ' C ' ' O ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -40.35 145.71 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 108.303 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -142.4 53.31 1.43 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.402 1.064 . . . . 0.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.1 m -85.63 31.37 0.6 Allowed 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.584 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.05 -49.93 3.18 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.542 1.151 . . . . 0.0 110.96 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.58 -61.05 5.63 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.56 137.85 4.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.403 0.707 . . . . 0.0 109.967 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.0 t -79.76 142.43 35.4 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.355 1.034 . . . . 0.0 108.359 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.4 p -124.74 -40.8 2.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.593 1.183 . . . . 0.0 110.347 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -49.69 132.47 21.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.555 1.16 . . . . 0.0 108.3 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.41 HG22 ' ND2' ' A' ' 28' ' ' ASN . 12.9 t -74.29 -35.52 63.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.429 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.41 ' ND2' HG22 ' A' ' 27' ' ' THR . 69.7 m-80 -124.28 75.84 1.42 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.441 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 5.2 t -70.86 164.65 24.87 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.553 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 p -130.75 1.75 4.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.081 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.1 p -107.76 175.93 5.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 108.325 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.405 ' O ' ' SG ' ' A' ' 34' ' ' CYS . 13.9 mtmm -104.02 -153.66 0.48 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.57 1.169 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 57.19 15.58 2.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.983 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 6.3 p -161.88 -52.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 108.345 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt . . . . . 0 C--N 1.327 -0.4 0 O-C-N 124.577 1.173 . . . . 0.0 109.285 179.982 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.401 ' HG2' ' CB ' ' A' ' 14' ' ' LYS . 42.3 mt-10 -127.47 80.84 1.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.412 ' HB3' ' HB2' ' A' ' 18' ' ' CYS . 2.3 m -60.63 -61.67 2.42 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.942 -1.026 . . . . 0.0 109.579 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.5 OUTLIER -96.06 -30.78 13.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.603 1.189 . . . . 0.0 110.036 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.401 ' CB ' ' HG2' ' A' ' 11' ' ' GLU . 3.4 mptp? -45.01 -52.7 8.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.383 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.8 p -60.68 -30.17 69.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.042 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 13' ' ' SER . . . 140.57 82.74 0.08 OUTLIER Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.537 1.148 . . . . 0.0 110.949 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 16' ' ' GLY . 0.4 OUTLIER 60.47 143.7 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.501 0.766 . . . . 0.0 110.446 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.412 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 7.1 t -74.78 122.27 23.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 108.283 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -128.24 45.91 2.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.598 1.186 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 98.9 m -87.4 31.84 0.73 Allowed 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.595 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.31 56.24 4.94 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.574 1.171 . . . . 0.0 110.967 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.76 23.92 21.99 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -163.45 87.79 0.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 0.0 109.895 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.2 t -79.49 139.63 37.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.072 . . . . 0.0 108.237 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.9 t -124.53 -36.92 2.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.109 . . . . 0.0 110.367 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -76.85 151.39 35.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 108.345 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.491 ' O ' ' C ' ' A' ' 28' ' ' ASN . 0.3 OUTLIER -89.13 170.69 10.4 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.468 1.105 . . . . 0.0 110.37 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.491 ' C ' ' O ' ' A' ' 27' ' ' THR . 9.8 p-10 33.4 54.73 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 14.3 t -87.51 167.57 13.84 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.629 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.1 t -176.52 34.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.112 . . . . 0.0 109.992 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 8.0 p -79.9 -49.45 11.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 108.321 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.461 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 4.3 tmtt? 171.08 140.7 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.582 1.176 . . . . 0.0 109.397 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.437 ' N ' ' HG2' ' A' ' 32' ' ' LYS . 0.4 OUTLIER 68.33 15.77 9.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.966 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.9 m -130.52 -55.67 1.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 108.255 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.946 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -84.69 71.12 10.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.585 1.178 . . . . 0.0 110.252 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.424 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.5 OUTLIER -81.29 -36.34 29.97 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.612 179.882 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.424 ' CB ' ' O ' ' A' ' 12' ' ' CYS . 0.5 OUTLIER 164.5 -30.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 110.029 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 15' ' ' SER . 27.8 mttm 72.14 -57.61 0.61 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.394 1.058 . . . . 0.0 109.26 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 14' ' ' LYS . 24.9 t -35.29 -56.63 0.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 0.0 110.029 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 155.22 -21.31 0.56 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.477 1.111 . . . . 0.0 111.05 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.0 m -73.71 93.02 2.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.579 0.811 . . . . 0.0 110.449 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.32 138.21 31.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.445 1.091 . . . . 0.0 108.222 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -95.43 23.83 5.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.393 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.6 m -108.97 39.57 2.0 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.564 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -110.06 27.36 11.94 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.468 1.105 . . . . 0.0 111.088 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 179.59 -40.93 0.08 OUTLIER Glycine 0 CA--C 1.529 0.941 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.05 133.27 5.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.467 0.745 . . . . 0.0 110.032 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.8 t -88.05 144.43 26.52 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.511 1.132 . . . . 0.0 108.219 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.2 t -120.01 -16.72 8.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 110.418 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.93 139.92 30.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 108.283 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -87.98 -43.95 11.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.166 . . . . 0.0 110.423 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.422 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 11.4 p30 -88.66 47.27 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 4.5 t -95.39 171.99 8.36 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.612 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.9 t -174.13 53.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 110.065 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 3.2 m -103.22 -73.31 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 108.303 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 33' ' ' SER . 0.0 OUTLIER -179.23 137.29 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.619 1.199 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 0.1 OUTLIER 79.0 8.76 1.88 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.468 1.105 . . . . 0.0 110.008 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.85 -53.8 2.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 108.29 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.373 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.6 p . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.4 ' O ' ' SG ' ' A' ' 26' ' ' CYS . 3.4 mp0 -67.66 76.37 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.437 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 1.2 m -73.17 -71.39 0.31 Allowed 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.585 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 17' ' ' THR . 32.2 t -118.31 -33.45 4.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.598 1.186 . . . . 0.0 110.033 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 13' ' ' SER . 1.2 tttp 84.41 -55.17 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 109.232 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.2 p -40.38 -47.17 2.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.007 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 155.79 -24.04 0.55 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.511 1.132 . . . . 0.0 111.038 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.508 ' O ' ' CB ' ' A' ' 13' ' ' SER . 5.8 t -125.36 117.48 23.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 0.781 . . . . 0.0 110.328 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -40.18 147.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 108.275 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.425 ' N ' ' HB2' ' A' ' 13' ' ' SER . 26.1 t-20 -152.93 59.6 0.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.355 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.7 m -79.86 9.49 5.22 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.59 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.57 -36.27 92.25 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.605 1.191 . . . . 0.0 110.969 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -104.57 70.5 0.25 Allowed Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.86 162.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.761 . . . . 0.0 109.973 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.413 ' HB2' ' CB ' ' A' ' 34' ' ' CYS . 8.1 t -107.97 142.07 38.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 108.259 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.3 p -118.61 -18.03 9.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 110.334 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.437 ' SG ' ' HA ' ' A' ' 12' ' ' CYS . 1.4 p -97.1 164.27 12.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.568 1.168 . . . . 0.0 108.317 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.442 ' C ' ' N ' ' A' ' 29' ' ' CYS . 0.8 OUTLIER -109.43 -177.49 3.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.419 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.41 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 20.3 p30 39.06 31.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.619 1.2 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.442 ' N ' ' C ' ' A' ' 27' ' ' THR . 5.5 t -83.02 171.56 13.67 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.908 -1.042 . . . . 0.0 109.632 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.9 t -169.72 63.22 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.985 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.401 ' O ' ' HB3' ' A' ' 32' ' ' LYS . 95.3 m -105.28 -87.37 0.45 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 108.309 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -176.2 139.89 0.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.081 . . . . 0.0 109.386 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.46 9.12 5.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.001 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.413 ' CB ' ' HB2' ' A' ' 24' ' ' CYS . 11.1 p -130.5 -48.63 1.07 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.519 1.137 . . . . 0.0 108.299 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.4 tttm . . . . . 0 C--N 1.326 -0.433 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.973 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.446 ' O ' ' CB ' ' A' ' 15' ' ' SER . 14.6 mm-40 -68.35 -11.32 59.38 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.541 1.15 . . . . 0.0 110.278 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 67.5 m -60.49 -56.94 15.31 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.597 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.2 m -86.87 -33.35 19.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 109.974 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -66.17 -74.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 1.3 p -44.8 -50.5 10.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.052 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.63 -58.76 0.58 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.44 1.087 . . . . 0.0 110.961 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.3 m -89.17 87.6 7.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 110.399 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -50.6 103.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 108.302 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -97.25 23.36 7.53 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.453 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -98.0 -7.74 29.33 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.549 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -47.97 101.43 0.04 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.575 1.172 . . . . 0.0 111.02 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 24' ' ' CYS . . . 108.0 -118.74 5.52 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.33 86.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.562 0.801 . . . . 0.0 109.996 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.433 ' N ' ' O ' ' A' ' 22' ' ' GLY . 8.6 t -58.81 137.89 57.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 108.316 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.6 p -136.96 -42.33 0.58 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 0.0 110.406 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -49.75 165.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 108.304 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.41 HG22 ' N ' ' A' ' 28' ' ' ASN . 24.1 m -102.3 149.43 24.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.472 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.41 ' N ' HG22 ' A' ' 27' ' ' THR . 68.8 m-80 43.59 76.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.1 t -95.63 171.57 8.59 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.622 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.3 t -145.83 17.42 1.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.97 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.1 m -78.25 144.94 35.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.641 1.213 . . . . 0.0 108.3 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.9 pttm -94.54 -5.66 45.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.431 1.082 . . . . 0.0 109.325 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.87 14.86 22.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.13 . . . . 0.0 110.049 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.7 p -142.81 -48.07 0.33 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 108.288 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.8 mptt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.209 -179.913 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -157.11 100.88 1.89 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.406 1.066 . . . . 0.0 110.282 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.13 -81.15 0.34 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.58 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.462 ' O ' ' C ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -120.35 17.65 12.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.394 1.059 . . . . 0.0 109.951 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 16' ' ' GLY . 9.3 mtpt -35.1 -40.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.3 t -38.04 -30.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 14' ' ' LYS . . . -168.16 74.02 0.13 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.57 1.169 . . . . 0.0 111.039 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 18' ' ' CYS . 0.6 OUTLIER 66.47 117.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 0.767 . . . . 0.0 110.375 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -40.05 157.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 108.261 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.424 ' N ' ' HB2' ' A' ' 13' ' ' SER . 11.4 t-20 -149.23 58.83 1.03 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.8 m -84.93 31.27 0.55 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.975 -1.012 . . . . 0.0 109.594 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -76.81 -45.45 12.57 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.537 1.148 . . . . 0.0 111.0 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.65 -69.45 1.38 Allowed Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -167.52 145.32 4.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 0.751 . . . . 0.0 109.988 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 89.6 m -64.2 126.79 28.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 0.0 108.234 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.4 t -99.39 -27.19 13.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.339 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.84 161.47 15.96 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.142 . . . . 0.0 108.257 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.08 -54.65 3.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.426 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -86.28 50.58 2.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.9 t -67.26 171.51 5.74 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.562 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 t -174.83 79.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.957 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -135.84 155.01 50.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.457 1.098 . . . . 0.0 108.346 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.3 -4.96 59.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.49 8.19 45.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 1.171 . . . . 0.0 110.005 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 6.7 p -144.78 -46.46 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 108.269 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -60.21 -16.15 30.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.6 m -64.42 -63.72 1.06 Allowed 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.514 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 84.1 p -76.97 -36.47 56.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.421 1.076 . . . . 0.0 109.974 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.404 ' HG2' ' N ' ' A' ' 15' ' ' SER . 20.2 ttpp -58.18 -89.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.384 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.404 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 46.7 t -43.16 -44.09 4.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 110.019 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.79 35.14 4.69 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.655 1.222 . . . . 0.0 110.951 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.0 m -154.46 108.91 3.01 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.441 0.73 . . . . 0.0 110.509 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.3 114.76 2.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 108.284 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -93.47 23.71 4.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.402 1.064 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.7 m -104.44 38.78 1.8 Allowed 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.672 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.65 -47.06 1.14 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.525 1.141 . . . . 0.0 110.963 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -94.8 -52.58 1.78 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.064 -0.815 . . . . 0.0 111.064 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -163.29 106.66 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 0.796 . . . . 0.0 110.014 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.7 t -57.2 141.03 47.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.406 1.066 . . . . 0.0 108.272 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.8 t -125.08 -40.19 2.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.583 1.177 . . . . 0.0 110.393 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.55 139.99 36.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.396 1.06 . . . . 0.0 108.271 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.419 HG22 ' N ' ' A' ' 28' ' ' ASN . 2.4 t -92.25 -43.35 9.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.516 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.419 ' N ' HG22 ' A' ' 27' ' ' THR . 16.6 m120 -85.71 53.18 2.68 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.6 t -96.01 175.0 6.65 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.557 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.5 t -165.21 29.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.386 1.054 . . . . 0.0 109.975 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 2.6 m -95.09 150.42 20.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 108.355 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.5 ptpp? -82.44 -4.65 57.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.43 8.5 13.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.021 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.5 p -140.49 -49.09 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 108.309 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.226 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 168.13 25.51 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.477 1.777 . . . . 0.0 111.045 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 27' ' ' THR . 3.5 t -76.49 146.7 38.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 108.282 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -47.82 -26.81 1.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 110.337 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 73.0 m -61.17 -60.84 3.12 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.64 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 77.6 p -72.79 -32.54 65.65 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.52 1.137 . . . . 0.0 110.041 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -73.74 0.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.2 t -43.52 -51.86 6.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 110.001 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 120.73 -28.81 6.05 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.1 m -121.2 102.64 8.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 0.743 . . . . 0.0 110.46 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -54.6 152.56 6.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 108.322 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -146.69 54.41 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 61.8 m -103.54 38.75 1.73 Allowed 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.566 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.63 95.43 2.08 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.427 1.079 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 126.14 -80.57 0.36 Allowed Glycine 0 CA--C 1.531 1.072 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.11 146.5 52.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.568 0.805 . . . . 0.0 109.978 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.1 t -90.54 140.01 30.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.148 . . . . 0.0 108.293 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 75.0 p -132.91 -41.75 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.438 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.2 p -53.68 167.69 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 108.316 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.414 HG23 ' N ' ' A' ' 28' ' ' ASN . 22.5 m -110.28 162.26 14.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.581 1.175 . . . . 0.0 110.382 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.414 ' N ' HG23 ' A' ' 27' ' ' THR . 92.2 m-20 44.72 61.1 2.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.113 . . . . 0.0 109.213 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.0 t -94.45 176.05 6.44 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.631 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.5 t -170.45 45.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.42 1.075 . . . . 0.0 110.008 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 2.0 m -106.57 149.93 26.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 108.218 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.78 -5.8 59.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.388 1.055 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.02 6.13 43.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.974 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.2 p -144.28 -48.34 0.27 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 108.307 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.6 tttt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 109.366 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 t0 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 166.47 29.18 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.421 1.748 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 22.2 p -118.95 155.06 32.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 108.268 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -111.73 81.08 1.4 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.479 1.112 . . . . 0.0 110.339 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.513 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 69.1 m -48.17 -55.5 10.22 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.578 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.4 t -127.15 0.5 6.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.434 1.084 . . . . 0.0 110.003 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 72.01 -59.22 0.56 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.0 p -38.7 -34.68 0.15 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.9 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 117.49 34.5 1.19 Allowed Glycine 0 CA--C 1.528 0.894 0 O-C-N 124.505 1.128 . . . . 0.0 111.055 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.8 m -150.48 117.47 5.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 0.729 . . . . 0.0 110.504 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.513 ' HA ' ' CB ' ' A' ' 12' ' ' CYS . 3.5 t -55.75 129.94 41.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 108.355 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -144.2 52.45 1.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 89.7 m -88.12 33.17 0.74 Allowed 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.575 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.49 -33.27 8.1 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.553 1.158 . . . . 0.0 111.058 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -95.16 -55.85 1.34 Allowed Glycine 0 CA--C 1.529 0.945 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.55 144.12 12.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 0.749 . . . . 0.0 109.982 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.6 t -87.19 142.99 27.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 108.357 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 74.2 p -120.02 -7.91 9.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.399 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.427 ' SG ' ' HA ' ' A' ' 12' ' ' CYS . 0.1 OUTLIER -99.78 140.24 34.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 108.251 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.2 t -86.07 -31.09 22.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.54 1.15 . . . . 0.0 110.431 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -117.62 67.63 0.75 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.391 1.057 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 5.1 t -71.43 171.61 10.95 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.674 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 t -167.98 53.29 0.06 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.493 1.121 . . . . 0.0 110.043 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.3 p -126.33 167.49 15.44 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.425 1.078 . . . . 0.0 108.312 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.82 -7.66 42.7 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.35 12.61 26.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.404 1.065 . . . . 0.0 110.039 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 35.0 t -130.45 -49.18 1.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 108.296 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.1 mttt . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 167.18 27.65 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 111.036 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.6 t -77.44 149.06 35.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 108.326 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -80.23 62.3 4.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.088 . . . . 0.0 110.253 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.1 m -60.1 -63.81 1.17 Allowed 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.56 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.47 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 47.5 p -96.92 -6.58 35.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.985 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 13' ' ' SER . 0.0 OUTLIER 85.24 -54.98 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.36 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 14' ' ' LYS . 14.5 p -38.14 -31.62 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.108 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 14' ' ' LYS . . . 117.12 32.0 1.61 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.465 1.103 . . . . 0.0 111.058 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.406 ' O ' ' OG ' ' A' ' 13' ' ' SER . 2.1 t -147.83 131.76 17.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.429 0.723 . . . . 0.0 110.381 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.0 t -55.33 139.13 43.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 108.315 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -146.19 52.95 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.092 . . . . 0.0 109.305 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 89.0 m -104.84 36.68 2.36 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.567 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -93.92 74.07 1.13 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 146.4 -67.92 0.4 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.39 144.89 33.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 0.747 . . . . 0.0 109.97 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.4 t -99.87 139.3 35.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 108.256 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.8 t -125.35 -36.48 2.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.419 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.8 p -67.08 168.24 10.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 108.337 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 88.4 m -113.13 175.31 5.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 110.358 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.7 m120 41.6 46.64 3.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.402 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 3.9 t -95.36 171.98 8.38 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.601 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 t -175.15 68.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.58 1.175 . . . . 0.0 110.003 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.402 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 0.7 OUTLIER -121.11 -73.27 0.65 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 108.258 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.445 ' O ' ' CB ' ' A' ' 33' ' ' SER . 0.1 OUTLIER -178.51 137.12 0.16 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 0.0 109.282 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.445 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 0.4 OUTLIER 81.09 9.31 1.02 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.013 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.48 -56.87 2.31 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.414 1.071 . . . . 0.0 108.298 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.959 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.451 -0.379 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.82 170.78 19.6 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.511 1.796 . . . . 0.0 111.052 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.49 163.62 25.43 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.537 1.148 . . . . 0.0 108.305 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.44 ' HA ' ' CB ' ' A' ' 14' ' ' LYS . 10.8 mt-10 -92.58 21.34 5.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.9 m -67.77 -71.2 0.22 Allowed 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.579 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.488 ' HA ' ' CA ' ' A' ' 17' ' ' THR . 34.6 p -90.18 -0.51 57.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 110.01 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.44 ' CB ' ' HA ' ' A' ' 11' ' ' GLU . 2.0 tptt -49.1 -53.42 20.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.6 t -62.06 -21.62 65.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.016 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 146.39 -23.69 1.7 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.488 ' CA ' ' HA ' ' A' ' 13' ' ' SER . 0.8 OUTLIER -178.92 138.15 0.15 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.449 0.735 . . . . 0.0 110.299 -179.851 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 17' ' ' THR . 11.2 t -41.61 129.76 3.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 108.324 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -142.5 52.4 1.43 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 1.116 . . . . 0.0 109.38 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 92.8 m -84.35 14.2 4.64 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.655 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.77 40.9 2.32 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.495 1.122 . . . . 0.0 110.937 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -162.42 -50.23 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -176.37 94.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 0.0 110.011 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.422 ' HB2' ' CB ' ' A' ' 34' ' ' CYS . 10.5 t -43.49 147.11 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 108.268 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 74.7 p -121.69 -31.75 3.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.405 1.066 . . . . 0.0 110.438 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.412 ' CB ' ' HB2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -76.49 140.78 41.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.135 . . . . 0.0 108.343 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.26 -57.98 3.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.596 1.185 . . . . 0.0 110.439 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -84.28 56.08 3.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 9.0 t -95.18 170.86 9.1 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.636 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.6 t -165.43 49.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 110.04 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -89.62 -91.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 108.321 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -178.99 139.59 0.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.22 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.4 t 73.45 6.91 5.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.585 1.178 . . . . 0.0 110.075 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.422 ' CB ' ' HB2' ' A' ' 24' ' ' CYS . 5.9 p -124.84 -49.03 1.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 108.223 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.925 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.2 t0 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 170.12 21.12 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.529 1.805 . . . . 0.0 111.016 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 p -74.99 156.19 36.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 108.317 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.54 61.86 0.24 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.252 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.75 -72.47 0.21 Allowed 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.585 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 16' ' ' GLY . 96.5 p -114.92 15.73 17.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.913 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.23 -59.63 2.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.39 -23.51 6.13 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 110.026 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 13' ' ' SER . . . 117.56 28.58 2.28 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 179.4 126.38 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 0.736 . . . . 0.0 110.425 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -48.24 133.63 15.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 108.308 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -91.32 16.34 10.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 0.0 109.278 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.8 m -102.43 39.44 1.51 Allowed 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.089 -0.96 . . . . 0.0 109.603 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -118.18 59.22 0.5 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.569 1.168 . . . . 0.0 111.084 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 140.95 -53.42 0.66 Allowed Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -158.92 97.69 1.43 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.54 0.788 . . . . 0.0 109.978 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.472 ' CB ' ' HB3' ' A' ' 34' ' ' CYS . 20.0 t -41.96 148.49 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 108.213 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.6 t -120.23 -10.18 9.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.424 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -101.98 158.49 16.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 108.321 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 74.9 m -104.06 173.64 6.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 110.34 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 44.87 34.36 1.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 7.6 t -90.58 170.47 10.15 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.643 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -157.78 34.51 0.26 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.434 1.084 . . . . 0.0 110.01 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -78.1 -90.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 108.291 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -163.11 141.99 8.45 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.503 1.127 . . . . 0.0 109.354 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.1 m 74.3 6.15 4.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.593 1.183 . . . . 0.0 109.987 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.472 ' HB3' ' CB ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -119.35 -49.42 2.37 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.551 1.157 . . . . 0.0 108.372 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.7 tttt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.53 0.199 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 162.35 37.41 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.46 1.769 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.8 t 63.25 141.59 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.511 1.132 . . . . 0.0 108.32 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -116.96 -8.83 11.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.0 m -59.66 -61.02 2.93 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.598 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.4 t -81.99 -32.92 30.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.43 1.081 . . . . 0.0 109.952 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -73.43 -91.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 1.172 . . . . 0.0 109.2 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 t -39.98 -49.79 2.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.991 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.64 30.71 6.05 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.409 1.068 . . . . 0.0 110.924 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.472 ' O ' ' CG2' ' A' ' 17' ' ' THR . 0.9 OUTLIER -143.26 81.09 1.7 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.525 0.779 . . . . 0.0 110.381 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.3 t -54.04 137.38 39.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.412 1.07 . . . . 0.0 108.284 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -139.95 47.61 1.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 64.5 m -107.53 42.6 1.3 Allowed 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.601 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -99.98 50.53 1.1 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.459 1.099 . . . . 0.0 110.905 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.07 -54.8 0.38 Allowed Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.49 147.87 32.64 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.407 0.71 . . . . 0.0 109.961 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.8 t -103.87 141.64 35.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 108.286 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.0 p -119.22 -19.71 8.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.481 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -92.74 157.61 16.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 108.324 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -106.58 -39.74 5.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.405 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -84.15 58.86 4.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.441 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -93.87 -176.87 4.17 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.664 179.854 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.48 ' O ' ' C ' ' A' ' 31' ' ' CYS . 1.5 t -176.69 -27.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.008 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.48 ' C ' ' O ' ' A' ' 30' ' ' SER . 1.6 p -35.9 134.54 0.37 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 108.354 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -68.44 -12.65 61.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 0.0 109.246 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.55 11.74 12.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.993 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.2 t -108.69 -63.43 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 108.277 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.9 mtpt . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.239 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 166.59 28.89 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.519 1.8 . . . . 0.0 111.06 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.0 t -101.37 157.75 16.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 108.22 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -45.72 -26.16 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 110.291 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 69.6 m -56.31 -57.65 11.34 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.673 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.2 t -82.19 -30.12 31.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.441 1.088 . . . . 0.0 109.953 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -59.84 4.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.7 t -51.94 -45.1 64.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.922 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 131.46 -33.69 2.72 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.531 1.144 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 m -135.75 113.1 10.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 0.788 . . . . 0.0 110.406 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -47.39 100.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 108.289 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -94.58 21.69 7.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.568 1.168 . . . . 0.0 109.234 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.471 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -110.02 -7.25 14.96 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.608 179.785 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -42.33 -45.98 5.39 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.558 1.161 . . . . 0.0 110.985 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -92.99 -77.91 1.39 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.22 109.53 21.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.757 . . . . 0.0 110.085 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 47.7 t -86.86 161.77 18.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 108.311 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.8 t -161.47 -41.68 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.56 1.162 . . . . 0.0 110.36 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -48.65 135.71 14.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 108.308 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.88 -48.69 11.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.377 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -84.27 56.85 3.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.4 t -95.71 173.17 7.61 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.615 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.8 t -175.04 34.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.941 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.455 ' O ' ' CB ' ' A' ' 32' ' ' LYS . 1.7 m -68.95 -98.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 108.344 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 31' ' ' CYS . 5.0 mtmt 166.33 -30.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.98 14.87 5.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.989 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.5 p -133.9 -51.62 0.84 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.398 1.061 . . . . 0.0 108.26 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.4 mttt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.42 1.075 . . . . 0.0 109.218 -179.928 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 t70 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.417 ' O ' ' O ' ' A' ' 10' ' ' CYS . 18.4 Cg_endo -74.94 153.31 41.99 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.472 1.775 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.417 ' O ' ' O ' ' A' ' 9' ' ' PRO . 38.3 t 56.94 164.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 108.321 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -120.56 82.95 1.98 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.255 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -91.05 -75.74 0.46 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.626 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.54 ' O ' ' C ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -120.05 20.14 12.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 110.027 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.54 ' C ' ' O ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -29.03 -43.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 13' ' ' SER . 0.1 OUTLIER -36.37 -31.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.911 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 17' ' ' THR . . . -158.31 45.33 0.47 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.498 ' CB ' ' O ' ' A' ' 16' ' ' GLY . 0.5 OUTLIER 82.96 137.47 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 0.746 . . . . 0.0 110.437 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' THR . 0.5 OUTLIER -41.08 154.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 108.328 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -147.19 57.01 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.578 1.174 . . . . 0.0 109.299 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.448 ' CB ' ' HB3' ' A' ' 34' ' ' CYS . 2.2 m -87.12 31.78 0.71 Allowed 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.946 -1.024 . . . . 0.0 109.572 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -37.31 -81.96 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.569 1.168 . . . . 0.0 111.056 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.47 -139.98 0.06 OUTLIER Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.89 148.69 31.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.764 . . . . 0.0 110.047 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 93.1 m -59.68 131.37 50.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 108.265 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.5 t -112.79 -28.49 7.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.401 1.063 . . . . 0.0 110.413 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -74.46 169.66 17.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 108.255 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.6 m -103.03 140.13 37.69 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.47 1.106 . . . . 0.0 110.393 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 56.07 73.6 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.356 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.436 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 3.8 t -95.31 170.89 9.06 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.615 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.7 t -176.05 63.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.972 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.436 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -118.97 145.81 45.5 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.453 1.096 . . . . 0.0 108.336 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.87 -13.78 52.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.414 1.071 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.47 14.86 19.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.12 . . . . 0.0 110.018 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.448 ' HB3' ' CB ' ' A' ' 20' ' ' CYS . 19.8 p -144.24 -48.69 0.27 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 108.273 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 156.09 42.97 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.413 1.744 . . . . 0.0 111.026 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 12' ' ' CYS . 3.8 p -146.42 167.11 24.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.58 1.175 . . . . 0.0 108.209 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 15' ' ' SER . 2.1 mp0 -36.88 -31.9 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.501 1.126 . . . . 0.0 110.332 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 10' ' ' CYS . 56.4 m -50.37 -51.88 42.07 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.61 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.7 t -101.46 15.23 29.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.085 . . . . 0.0 109.995 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.2 -70.77 0.77 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 11' ' ' GLU . 0.6 OUTLIER -42.94 -48.93 5.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 134.29 103.55 0.79 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.546 1.154 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 73.54 148.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 110.424 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -105.45 150.32 25.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 108.364 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -146.66 54.6 1.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.233 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 69.6 m -95.88 33.38 1.69 Allowed 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.528 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.9 60.23 3.51 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 155.14 -65.77 0.32 Allowed Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.55 163.47 30.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 0.773 . . . . 0.0 110.027 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.0 t -98.92 142.99 29.73 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.483 1.114 . . . . 0.0 108.258 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.3 p -120.8 -33.81 3.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.369 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -82.26 -176.02 5.97 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.564 1.165 . . . . 0.0 108.323 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.435 ' N ' ' SG ' ' A' ' 26' ' ' CYS . 1.3 t -117.17 164.2 15.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.37 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 27' ' ' THR . 33.5 m-20 39.58 62.6 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.438 1.086 . . . . 0.0 109.344 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.439 ' O ' ' CD ' ' A' ' 35' ' ' LYS . 2.6 t -94.92 175.82 6.5 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.584 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.7 t -174.4 33.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.616 1.198 . . . . 0.0 110.026 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.542 ' O ' ' CB ' ' A' ' 32' ' ' LYS . 16.8 m -75.64 -76.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 108.326 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.542 ' CB ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER 160.45 146.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.409 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.51 7.29 6.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.968 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.7 p -127.99 -45.81 1.41 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.528 1.143 . . . . 0.0 108.284 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.439 ' CD ' ' O ' ' A' ' 29' ' ' CYS . 5.2 tttt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.3 t0 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.11 169.66 22.09 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.515 1.798 . . . . 0.0 110.957 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.6 t -82.66 152.65 25.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 108.271 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -89.97 81.42 6.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.081 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.403 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 58.5 m -74.7 -72.0 0.31 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.593 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.3 t -115.12 -37.52 4.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.976 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.5 ' O ' ' C ' ' A' ' 15' ' ' SER . 2.9 tttm 79.77 -48.73 0.37 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.558 1.161 . . . . 0.0 109.378 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.5 ' C ' ' O ' ' A' ' 14' ' ' LYS . 1.7 t -31.39 -43.33 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.996 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 17' ' ' THR . . . 164.51 99.53 0.14 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.458 1.099 . . . . 0.0 110.947 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.425 ' CB ' ' O ' ' A' ' 16' ' ' GLY . 0.5 OUTLIER 77.75 149.53 0.1 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.525 0.78 . . . . 0.0 110.383 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -52.23 161.37 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.393 1.058 . . . . 0.0 108.331 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.438 ' N ' ' SG ' ' A' ' 18' ' ' CYS . 4.7 t-20 -154.47 59.03 0.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 61.2 m -94.3 32.15 1.59 Allowed 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.636 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.45 -67.75 1.51 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.49 -74.89 0.24 Allowed Glycine 0 CA--C 1.531 1.088 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -158.19 126.82 5.5 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.56 0.8 . . . . 0.0 110.052 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.9 t -62.42 136.85 58.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 108.332 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.4 t -126.52 -40.22 1.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 110.407 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.403 ' SG ' ' HA ' ' A' ' 12' ' ' CYS . 1.2 p -52.71 171.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.637 1.211 . . . . 0.0 108.328 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.3 t -117.75 150.0 39.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.481 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 57.74 53.71 6.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.385 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 5.0 t -95.63 171.13 8.86 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.492 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.7 t -172.73 60.45 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 110.007 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 97.8 m -94.43 -94.88 0.17 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 108.347 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -176.35 -37.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 m -73.12 -0.02 12.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.029 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.6 p -128.54 -47.52 1.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 108.312 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.419 1.074 . . . . 0.0 109.294 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 164.53 33.05 Favored 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.491 1.785 . . . . 0.0 110.973 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 p -78.58 160.72 27.45 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.49 1.119 . . . . 0.0 108.279 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -88.71 49.42 1.78 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.527 1.142 . . . . 0.0 110.256 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -87.47 -51.87 5.68 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.631 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.83 -33.2 8.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 109.988 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.87 -63.26 1.21 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.251 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.8 t -42.8 -53.67 4.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.044 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 141.29 -46.19 0.92 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.458 1.098 . . . . 0.0 111.013 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.7 m -123.01 101.08 7.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 110.424 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -45.95 111.34 0.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 108.343 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -99.72 27.19 5.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.604 1.19 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.47 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -106.47 -7.11 17.71 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.587 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -38.29 -46.67 1.98 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.459 1.099 . . . . 0.0 111.021 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -102.54 -89.16 2.08 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.11 109.15 5.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.356 0.68 . . . . 0.0 109.915 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 39.9 t -105.55 141.38 37.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 1.076 . . . . 0.0 108.274 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.2 p -135.84 -41.21 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.4 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -49.01 150.95 1.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 108.279 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -100.45 -43.1 6.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.356 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -84.83 58.25 4.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 t -93.13 177.72 5.97 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.571 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.8 t -165.48 31.16 0.06 Allowed 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.465 1.103 . . . . 0.0 109.947 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 73.7 m -96.16 142.89 27.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 108.393 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.31 -41.6 14.43 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.8 -12.23 16.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.078 . . . . 0.0 110.033 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -106.35 -18.77 13.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.584 1.177 . . . . 0.0 108.318 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.338 179.955 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 167.69 26.49 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.504 1.792 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.8 t -76.46 156.17 33.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 108.287 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.401 ' HA ' ' CB ' ' A' ' 14' ' ' LYS . 1.1 mp0 -54.44 -19.61 6.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.284 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 18.7 m -49.69 -50.37 43.96 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.556 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.0 t -83.08 -22.74 33.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.085 . . . . 0.0 109.937 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.401 ' CB ' ' HA ' ' A' ' 11' ' ' GLU . 0.6 OUTLIER -50.76 -59.72 3.8 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.498 1.124 . . . . 0.0 109.369 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 61.7 p -60.06 -34.95 74.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 110.009 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.03 -26.22 6.84 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.523 1.139 . . . . 0.0 111.069 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.8 m -133.26 120.9 21.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 0.737 . . . . 0.0 110.356 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.412 ' O ' ' SG ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -63.45 91.21 0.05 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.515 1.134 . . . . 0.0 108.285 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 19' ' ' ASN . 14.2 t-20 -93.13 22.68 4.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.487 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -92.24 -3.41 55.54 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.649 179.867 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.1 84.83 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.446 1.091 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 20' ' ' CYS . . . 143.71 -106.93 0.44 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.25 94.18 4.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.469 0.746 . . . . 0.0 110.055 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.479 ' CB ' ' HB2' ' A' ' 20' ' ' CYS . 11.7 p -101.32 162.58 12.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 108.347 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.5 p -115.65 -21.4 9.7 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.421 1.076 . . . . 0.0 110.396 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -49.8 144.18 6.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 108.268 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.81 -43.68 7.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.621 1.201 . . . . 0.0 110.377 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -84.5 57.88 4.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.225 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 t -95.08 174.31 7.14 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.635 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.8 t -164.25 37.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.97 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -118.87 -150.44 0.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 108.28 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.427 ' C ' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -124.16 -158.8 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.221 -179.898 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 47.84 22.05 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.427 ' N ' ' C ' ' A' ' 32' ' ' LYS . 27.7 p -157.17 -47.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 0.0 108.286 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.2 tttp . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.337 179.908 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.7 t70 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 154.15 42.15 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.513 1.796 . . . . 0.0 110.938 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 53.5 t 58.75 162.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.628 1.205 . . . . 0.0 108.322 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -94.79 59.43 2.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 0.0 110.315 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 90.4 m -62.8 -69.25 0.27 Allowed 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.586 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.1 p -117.41 -12.29 10.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.414 1.071 . . . . 0.0 109.98 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 15' ' ' SER . 0.3 OUTLIER 71.39 -58.47 0.58 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.625 1.203 . . . . 0.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 14' ' ' LYS . 43.4 t -36.51 -56.91 0.79 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.535 1.147 . . . . 0.0 110.027 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 162.61 -47.67 0.33 Allowed Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.435 1.084 . . . . 0.0 111.011 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.9 m -82.4 94.88 7.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 0.791 . . . . 0.0 110.448 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.419 ' O ' ' SG ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -47.68 108.46 0.16 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.566 1.166 . . . . 0.0 108.248 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -96.03 24.9 5.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.401 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.526 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -89.43 -3.22 58.5 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.566 179.872 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 20' ' ' CYS . . . -33.4 -48.68 0.47 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.563 1.164 . . . . 0.0 111.018 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 20' ' ' CYS . . . -93.05 -145.92 18.2 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.24 94.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 110.038 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.453 ' CB ' ' HB2' ' A' ' 20' ' ' CYS . 27.7 p -80.99 155.09 26.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 108.279 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.4 t -128.68 17.07 6.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.578 1.174 . . . . 0.0 110.405 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.5 p -87.57 166.08 14.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 108.25 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 98.6 m -103.2 154.32 19.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.369 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 46.49 70.23 0.41 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.356 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.3 t -95.72 172.37 8.08 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.523 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.96 58.03 0.1 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.507 1.129 . . . . 0.0 109.946 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 70.7 m -123.39 136.83 54.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 108.309 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.86 -5.2 44.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.84 10.65 25.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.035 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 17.3 p -148.52 -47.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 108.214 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.23 -179.88 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.9 t70 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 164.88 32.4 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.508 1.794 . . . . 0.0 110.944 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.441 ' SG ' ' HA ' ' A' ' 29' ' ' CYS . 3.6 t 65.65 152.3 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 108.257 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.5 44.19 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 110.277 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.4 m -69.58 -77.05 0.09 Allowed 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.043 -0.981 . . . . 0.0 109.602 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 17' ' ' THR . 5.0 p -122.34 -27.33 4.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.003 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 15' ' ' SER . 0.7 OUTLIER 79.37 -55.67 0.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 14' ' ' LYS . 40.5 t -39.36 -53.85 1.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.172 . . . . 0.0 110.023 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 162.23 -27.75 0.26 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.387 1.055 . . . . 0.0 110.968 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.466 ' O ' ' CB ' ' A' ' 13' ' ' SER . 10.6 t -115.97 113.86 23.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 110.408 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.413 ' C ' ' O ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -40.35 145.71 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 108.303 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -142.4 53.31 1.43 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.402 1.064 . . . . 0.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.1 m -85.63 31.37 0.6 Allowed 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.584 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.05 -49.93 3.18 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.542 1.151 . . . . 0.0 110.96 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.58 -61.05 5.63 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.56 137.85 4.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.403 0.707 . . . . 0.0 109.967 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.0 t -79.76 142.43 35.4 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.355 1.034 . . . . 0.0 108.359 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.4 p -124.74 -40.8 2.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.593 1.183 . . . . 0.0 110.347 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -49.69 132.47 21.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.555 1.16 . . . . 0.0 108.3 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.41 HG22 ' ND2' ' A' ' 28' ' ' ASN . 12.9 t -74.29 -35.52 63.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.429 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.41 ' ND2' HG22 ' A' ' 27' ' ' THR . 69.7 m-80 -124.28 75.84 1.42 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.441 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 5.2 t -70.86 164.65 24.87 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.553 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 p -130.75 1.75 4.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.081 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.1 p -107.76 175.93 5.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 108.325 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.405 ' O ' ' SG ' ' A' ' 34' ' ' CYS . 13.9 mtmm -104.02 -153.66 0.48 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.57 1.169 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 57.19 15.58 2.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.983 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 6.3 p -161.88 -52.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 108.345 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt . . . . . 0 C--N 1.327 -0.4 0 O-C-N 124.577 1.173 . . . . 0.0 109.285 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 168.29 25.16 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.513 1.796 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.13 152.37 34.95 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.553 1.158 . . . . 0.0 108.265 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.401 ' HG2' ' CB ' ' A' ' 14' ' ' LYS . 42.3 mt-10 -127.47 80.84 1.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.412 ' HB3' ' HB2' ' A' ' 18' ' ' CYS . 2.3 m -60.63 -61.67 2.42 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.942 -1.026 . . . . 0.0 109.579 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.5 OUTLIER -96.06 -30.78 13.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.603 1.189 . . . . 0.0 110.036 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.401 ' CB ' ' HG2' ' A' ' 11' ' ' GLU . 3.4 mptp? -45.01 -52.7 8.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.383 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.8 p -60.68 -30.17 69.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.042 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 13' ' ' SER . . . 140.57 82.74 0.08 OUTLIER Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.537 1.148 . . . . 0.0 110.949 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 16' ' ' GLY . 0.4 OUTLIER 60.47 143.7 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.501 0.766 . . . . 0.0 110.446 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.412 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 7.1 t -74.78 122.27 23.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 108.283 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -128.24 45.91 2.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.598 1.186 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 98.9 m -87.4 31.84 0.73 Allowed 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.595 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.31 56.24 4.94 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.574 1.171 . . . . 0.0 110.967 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.76 23.92 21.99 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -163.45 87.79 0.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 0.0 109.895 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.2 t -79.49 139.63 37.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.072 . . . . 0.0 108.237 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.9 t -124.53 -36.92 2.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.109 . . . . 0.0 110.367 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -76.85 151.39 35.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 108.345 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.491 ' O ' ' C ' ' A' ' 28' ' ' ASN . 0.3 OUTLIER -89.13 170.69 10.4 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.468 1.105 . . . . 0.0 110.37 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.491 ' C ' ' O ' ' A' ' 27' ' ' THR . 9.8 p-10 33.4 54.73 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 14.3 t -87.51 167.57 13.84 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.629 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.1 t -176.52 34.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.112 . . . . 0.0 109.992 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 8.0 p -79.9 -49.45 11.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 108.321 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.461 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 4.3 tmtt? 171.08 140.7 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.582 1.176 . . . . 0.0 109.397 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.437 ' N ' ' HG2' ' A' ' 32' ' ' LYS . 0.4 OUTLIER 68.33 15.77 9.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.966 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.9 m -130.52 -55.67 1.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 108.255 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.946 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 174.25 13.1 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.509 1.794 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 t -75.89 150.48 37.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.121 . . . . 0.0 108.371 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -84.69 71.12 10.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.585 1.178 . . . . 0.0 110.252 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.424 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.5 OUTLIER -81.29 -36.34 29.97 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.612 179.882 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.424 ' CB ' ' O ' ' A' ' 12' ' ' CYS . 0.5 OUTLIER 164.5 -30.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 110.029 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 15' ' ' SER . 27.8 mttm 72.14 -57.61 0.61 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.394 1.058 . . . . 0.0 109.26 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 14' ' ' LYS . 24.9 t -35.29 -56.63 0.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 0.0 110.029 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 155.22 -21.31 0.56 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.477 1.111 . . . . 0.0 111.05 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.0 m -73.71 93.02 2.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.579 0.811 . . . . 0.0 110.449 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.32 138.21 31.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.445 1.091 . . . . 0.0 108.222 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -95.43 23.83 5.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.393 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.6 m -108.97 39.57 2.0 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.564 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -110.06 27.36 11.94 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.468 1.105 . . . . 0.0 111.088 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 179.59 -40.93 0.08 OUTLIER Glycine 0 CA--C 1.529 0.941 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.05 133.27 5.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.467 0.745 . . . . 0.0 110.032 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.8 t -88.05 144.43 26.52 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.511 1.132 . . . . 0.0 108.219 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.2 t -120.01 -16.72 8.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 110.418 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.93 139.92 30.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 108.283 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -87.98 -43.95 11.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.166 . . . . 0.0 110.423 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.422 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 11.4 p30 -88.66 47.27 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 4.5 t -95.39 171.99 8.36 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.612 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.9 t -174.13 53.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 110.065 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 3.2 m -103.22 -73.31 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 108.303 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 33' ' ' SER . 0.0 OUTLIER -179.23 137.29 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.619 1.199 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 0.1 OUTLIER 79.0 8.76 1.88 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.468 1.105 . . . . 0.0 110.008 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.85 -53.8 2.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 108.29 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.373 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.88 168.39 24.95 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.439 1.757 . . . . 0.0 111.007 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.6 p -76.62 157.29 32.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.403 1.064 . . . . 0.0 108.264 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.4 ' O ' ' SG ' ' A' ' 26' ' ' CYS . 3.4 mp0 -67.66 76.37 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.437 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 1.2 m -73.17 -71.39 0.31 Allowed 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.585 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 17' ' ' THR . 32.2 t -118.31 -33.45 4.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.598 1.186 . . . . 0.0 110.033 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 13' ' ' SER . 1.2 tttp 84.41 -55.17 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 109.232 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.2 p -40.38 -47.17 2.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.007 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 155.79 -24.04 0.55 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.511 1.132 . . . . 0.0 111.038 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.508 ' O ' ' CB ' ' A' ' 13' ' ' SER . 5.8 t -125.36 117.48 23.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 0.781 . . . . 0.0 110.328 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -40.18 147.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 108.275 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.425 ' N ' ' HB2' ' A' ' 13' ' ' SER . 26.1 t-20 -152.93 59.6 0.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.355 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.7 m -79.86 9.49 5.22 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.59 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.57 -36.27 92.25 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.605 1.191 . . . . 0.0 110.969 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -104.57 70.5 0.25 Allowed Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.86 162.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.761 . . . . 0.0 109.973 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.413 ' HB2' ' CB ' ' A' ' 34' ' ' CYS . 8.1 t -107.97 142.07 38.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 108.259 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.3 p -118.61 -18.03 9.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 110.334 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.437 ' SG ' ' HA ' ' A' ' 12' ' ' CYS . 1.4 p -97.1 164.27 12.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.568 1.168 . . . . 0.0 108.317 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.442 ' C ' ' N ' ' A' ' 29' ' ' CYS . 0.8 OUTLIER -109.43 -177.49 3.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.419 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.41 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 20.3 p30 39.06 31.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.619 1.2 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.442 ' N ' ' C ' ' A' ' 27' ' ' THR . 5.5 t -83.02 171.56 13.67 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.908 -1.042 . . . . 0.0 109.632 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.9 t -169.72 63.22 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.985 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.401 ' O ' ' HB3' ' A' ' 32' ' ' LYS . 95.3 m -105.28 -87.37 0.45 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 108.309 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -176.2 139.89 0.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.081 . . . . 0.0 109.386 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.46 9.12 5.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.001 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.413 ' CB ' ' HB2' ' A' ' 24' ' ' CYS . 11.1 p -130.5 -48.63 1.07 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.519 1.137 . . . . 0.0 108.299 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.4 tttm . . . . . 0 C--N 1.326 -0.433 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.973 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.411 ' HB3' ' CB ' ' A' ' 13' ' ' SER . 12.0 t70 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.444 ' O ' ' CB ' ' A' ' 10' ' ' CYS . 18.4 Cg_endo -74.94 168.45 24.82 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.531 1.806 . . . . 0.0 111.027 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 9' ' ' PRO . 0.1 OUTLIER 83.19 143.4 0.07 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 108.409 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.446 ' O ' ' CB ' ' A' ' 15' ' ' SER . 14.6 mm-40 -68.35 -11.32 59.38 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.541 1.15 . . . . 0.0 110.278 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 67.5 m -60.49 -56.94 15.31 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.597 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.411 ' CB ' ' HB3' ' A' ' 8' ' ' ASP . 4.2 m -86.87 -33.35 19.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 109.974 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -66.17 -74.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 1.3 p -44.8 -50.5 10.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.052 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.63 -58.76 0.58 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.44 1.087 . . . . 0.0 110.961 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.3 m -89.17 87.6 7.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 110.399 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -50.6 103.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 108.302 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -97.25 23.36 7.53 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.453 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -98.0 -7.74 29.33 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.549 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -47.97 101.43 0.04 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.575 1.172 . . . . 0.0 111.02 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 24' ' ' CYS . . . 108.0 -118.74 5.52 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.33 86.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.562 0.801 . . . . 0.0 109.996 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.433 ' N ' ' O ' ' A' ' 22' ' ' GLY . 8.6 t -58.81 137.89 57.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 108.316 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.6 p -136.96 -42.33 0.58 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 0.0 110.406 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -49.75 165.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 108.304 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.41 HG22 ' N ' ' A' ' 28' ' ' ASN . 24.1 m -102.3 149.43 24.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.472 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.41 ' N ' HG22 ' A' ' 27' ' ' THR . 68.8 m-80 43.59 76.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.1 t -95.63 171.57 8.59 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.622 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.3 t -145.83 17.42 1.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.97 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.1 m -78.25 144.94 35.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.641 1.213 . . . . 0.0 108.3 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.9 pttm -94.54 -5.66 45.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.431 1.082 . . . . 0.0 109.325 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.87 14.86 22.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.13 . . . . 0.0 110.049 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.7 p -142.81 -48.07 0.33 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 108.288 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.8 mptt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.209 -179.913 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.1 t70 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 176.55 9.78 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.556 1.819 . . . . 0.0 110.973 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.75 164.39 26.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.371 1.044 . . . . 0.0 108.327 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -157.11 100.88 1.89 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.406 1.066 . . . . 0.0 110.282 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.13 -81.15 0.34 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.58 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.462 ' O ' ' C ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -120.35 17.65 12.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.394 1.059 . . . . 0.0 109.951 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 16' ' ' GLY . 9.3 mtpt -35.1 -40.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.3 t -38.04 -30.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 14' ' ' LYS . . . -168.16 74.02 0.13 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.57 1.169 . . . . 0.0 111.039 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 18' ' ' CYS . 0.6 OUTLIER 66.47 117.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 0.767 . . . . 0.0 110.375 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -40.05 157.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 108.261 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.424 ' N ' ' HB2' ' A' ' 13' ' ' SER . 11.4 t-20 -149.23 58.83 1.03 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.8 m -84.93 31.27 0.55 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.975 -1.012 . . . . 0.0 109.594 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -76.81 -45.45 12.57 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.537 1.148 . . . . 0.0 111.0 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.65 -69.45 1.38 Allowed Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -167.52 145.32 4.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 0.751 . . . . 0.0 109.988 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 89.6 m -64.2 126.79 28.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 0.0 108.234 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.4 t -99.39 -27.19 13.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.339 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.84 161.47 15.96 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.142 . . . . 0.0 108.257 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.08 -54.65 3.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.426 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -86.28 50.58 2.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.9 t -67.26 171.51 5.74 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.562 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 t -174.83 79.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.957 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -135.84 155.01 50.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.457 1.098 . . . . 0.0 108.346 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.3 -4.96 59.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.49 8.19 45.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 1.171 . . . . 0.0 110.005 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 6.7 p -144.78 -46.46 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 108.269 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 170.19 20.94 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.567 1.825 . . . . 0.0 110.977 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.91 140.75 40.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.438 1.086 . . . . 0.0 108.235 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -60.21 -16.15 30.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.6 m -64.42 -63.72 1.06 Allowed 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.514 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 84.1 p -76.97 -36.47 56.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.421 1.076 . . . . 0.0 109.974 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.404 ' HG2' ' N ' ' A' ' 15' ' ' SER . 20.2 ttpp -58.18 -89.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.384 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.404 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 46.7 t -43.16 -44.09 4.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 110.019 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.79 35.14 4.69 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.655 1.222 . . . . 0.0 110.951 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.0 m -154.46 108.91 3.01 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.441 0.73 . . . . 0.0 110.509 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.3 114.76 2.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 108.284 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -93.47 23.71 4.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.402 1.064 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.7 m -104.44 38.78 1.8 Allowed 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.672 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.65 -47.06 1.14 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.525 1.141 . . . . 0.0 110.963 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -94.8 -52.58 1.78 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.064 -0.815 . . . . 0.0 111.064 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -163.29 106.66 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 0.796 . . . . 0.0 110.014 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.7 t -57.2 141.03 47.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.406 1.066 . . . . 0.0 108.272 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.8 t -125.08 -40.19 2.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.583 1.177 . . . . 0.0 110.393 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.55 139.99 36.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.396 1.06 . . . . 0.0 108.271 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.419 HG22 ' N ' ' A' ' 28' ' ' ASN . 2.4 t -92.25 -43.35 9.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.516 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.419 ' N ' HG22 ' A' ' 27' ' ' THR . 16.6 m120 -85.71 53.18 2.68 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.6 t -96.01 175.0 6.65 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.557 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.5 t -165.21 29.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.386 1.054 . . . . 0.0 109.975 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 2.6 m -95.09 150.42 20.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 108.355 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.5 ptpp? -82.44 -4.65 57.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.43 8.5 13.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.021 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.5 p -140.49 -49.09 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 108.309 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.226 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -47.82 -26.81 1.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 110.337 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 73.0 m -61.17 -60.84 3.12 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.64 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 77.6 p -72.79 -32.54 65.65 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.52 1.137 . . . . 0.0 110.041 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -73.74 0.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.2 t -43.52 -51.86 6.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 110.001 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 120.73 -28.81 6.05 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.1 m -121.2 102.64 8.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 0.743 . . . . 0.0 110.46 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -54.6 152.56 6.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 108.322 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -146.69 54.41 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 61.8 m -103.54 38.75 1.73 Allowed 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.566 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.63 95.43 2.08 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.427 1.079 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 126.14 -80.57 0.36 Allowed Glycine 0 CA--C 1.531 1.072 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.11 146.5 52.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.568 0.805 . . . . 0.0 109.978 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.1 t -90.54 140.01 30.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.148 . . . . 0.0 108.293 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 75.0 p -132.91 -41.75 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.438 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.2 p -53.68 167.69 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 108.316 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.5 m -110.28 162.26 14.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.581 1.175 . . . . 0.0 110.382 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 44.72 61.1 2.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.113 . . . . 0.0 109.213 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.0 t -94.45 176.05 6.44 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.631 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.5 t -170.45 45.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.42 1.075 . . . . 0.0 110.008 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 2.0 m -106.57 149.93 26.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 108.218 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.78 -5.8 59.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.388 1.055 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.02 6.13 43.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.974 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.2 p -144.28 -48.34 0.27 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 108.307 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.6 tttt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 109.366 179.973 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.4 ' SG ' ' HA ' ' A' ' 29' ' ' CYS . 22.2 p . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -111.73 81.08 1.4 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.479 1.112 . . . . 0.0 110.339 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.517 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 69.1 m -48.17 -55.5 10.22 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.578 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.4 t -127.15 0.5 6.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.434 1.084 . . . . 0.0 110.003 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 72.01 -59.22 0.56 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.0 p -38.7 -34.68 0.15 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.9 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 117.49 34.5 1.19 Allowed Glycine 0 CA--C 1.528 0.894 0 O-C-N 124.505 1.128 . . . . 0.0 111.055 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.8 m -150.48 117.47 5.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 0.729 . . . . 0.0 110.504 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.517 ' HA ' ' CB ' ' A' ' 12' ' ' CYS . 3.5 t -55.75 129.94 41.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 108.355 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.486 ' O ' ' ND2' ' A' ' 19' ' ' ASN . 0.4 OUTLIER -144.2 52.45 1.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 89.7 m -88.12 33.17 0.74 Allowed 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.575 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.49 -33.27 8.1 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.553 1.158 . . . . 0.0 111.058 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -95.16 -55.85 1.34 Allowed Glycine 0 CA--C 1.529 0.945 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.55 144.12 12.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 0.749 . . . . 0.0 109.982 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.6 t -87.19 142.99 27.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 108.357 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 74.2 p -120.02 -7.91 9.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.399 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.418 ' SG ' ' HA ' ' A' ' 12' ' ' CYS . 0.1 OUTLIER -99.78 140.24 34.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 108.251 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.501 HG23 ' OD1' ' A' ' 28' ' ' ASN . 11.2 t -86.07 -31.09 22.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.54 1.15 . . . . 0.0 110.431 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.501 ' OD1' HG23 ' A' ' 27' ' ' THR . 12.4 m-20 -117.62 67.63 0.75 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.391 1.057 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.4 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 5.1 t -71.43 171.61 10.95 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.674 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 t -167.98 53.29 0.06 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.493 1.121 . . . . 0.0 110.043 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.3 p -126.33 167.49 15.44 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.425 1.078 . . . . 0.0 108.312 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.82 -7.66 42.7 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.35 12.61 26.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.404 1.065 . . . . 0.0 110.039 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 35.0 t -130.45 -49.18 1.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 108.296 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.1 mttt . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.6 t . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -80.23 62.3 4.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.088 . . . . 0.0 110.253 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.1 m -60.1 -63.81 1.17 Allowed 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.56 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.47 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 47.5 p -96.92 -6.58 35.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.985 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 13' ' ' SER . 0.0 OUTLIER 85.24 -54.98 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.36 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 14' ' ' LYS . 14.5 p -38.14 -31.62 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.108 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 14' ' ' LYS . . . 117.12 32.0 1.61 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.465 1.103 . . . . 0.0 111.058 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.1 t -147.83 131.76 17.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.429 0.723 . . . . 0.0 110.381 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.0 t -55.33 139.13 43.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 108.315 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -146.19 52.95 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.092 . . . . 0.0 109.305 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 89.0 m -104.84 36.68 2.36 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.567 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -93.92 74.07 1.13 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 146.4 -67.92 0.4 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.39 144.89 33.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 0.747 . . . . 0.0 109.97 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.4 t -99.87 139.3 35.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 108.256 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.8 t -125.35 -36.48 2.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.419 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.8 p -67.08 168.24 10.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 108.337 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.546 HG22 ' H ' ' A' ' 28' ' ' ASN . 88.4 m -113.13 175.31 5.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 110.358 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.546 ' H ' HG22 ' A' ' 27' ' ' THR . 9.7 m120 41.6 46.64 3.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.402 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 3.9 t -95.36 171.98 8.38 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.601 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 t -175.15 68.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.58 1.175 . . . . 0.0 110.003 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.402 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 0.7 OUTLIER -121.11 -73.27 0.65 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 108.258 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.445 ' O ' ' CB ' ' A' ' 33' ' ' SER . 0.1 OUTLIER -178.51 137.12 0.16 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 0.0 109.282 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.445 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 0.4 OUTLIER 81.09 9.31 1.02 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.013 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.48 -56.87 2.31 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.414 1.071 . . . . 0.0 108.298 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.959 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.467 ' HA ' ' CB ' ' A' ' 14' ' ' LYS . 10.8 mt-10 -92.58 21.34 5.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.9 m -67.77 -71.2 0.22 Allowed 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.579 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.514 ' HA ' ' CA ' ' A' ' 17' ' ' THR . 34.6 p -90.18 -0.51 57.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 110.01 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.467 ' CB ' ' HA ' ' A' ' 11' ' ' GLU . 2.0 tptt -49.1 -53.42 20.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.6 t -62.06 -21.62 65.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.016 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 146.39 -23.69 1.7 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.514 ' CA ' ' HA ' ' A' ' 13' ' ' SER . 0.8 OUTLIER -178.92 138.15 0.15 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.449 0.735 . . . . 0.0 110.299 -179.851 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 17' ' ' THR . 11.2 t -41.61 129.76 3.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 108.324 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -142.5 52.4 1.43 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 1.116 . . . . 0.0 109.38 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 92.8 m -84.35 14.2 4.64 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.655 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.77 40.9 2.32 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.495 1.122 . . . . 0.0 110.937 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -162.42 -50.23 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -176.37 94.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 0.0 110.011 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.422 ' HB2' ' CB ' ' A' ' 34' ' ' CYS . 10.5 t -43.49 147.11 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 108.268 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 74.7 p -121.69 -31.75 3.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.405 1.066 . . . . 0.0 110.438 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.412 ' CB ' ' HB2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -76.49 140.78 41.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.135 . . . . 0.0 108.343 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.26 -57.98 3.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.596 1.185 . . . . 0.0 110.439 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -84.28 56.08 3.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 9.0 t -95.18 170.86 9.1 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.636 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.6 t -165.43 49.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 110.04 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -89.62 -91.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 108.321 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -178.99 139.59 0.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.22 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.4 t 73.45 6.91 5.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.585 1.178 . . . . 0.0 110.075 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.422 ' CB ' ' HB2' ' A' ' 24' ' ' CYS . 5.9 p -124.84 -49.03 1.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 108.223 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.925 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.54 61.86 0.24 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.252 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.75 -72.47 0.21 Allowed 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.585 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 16' ' ' GLY . 96.5 p -114.92 15.73 17.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.913 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.23 -59.63 2.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.39 -23.51 6.13 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 110.026 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 13' ' ' SER . . . 117.56 28.58 2.28 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 179.4 126.38 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 0.736 . . . . 0.0 110.425 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -48.24 133.63 15.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 108.308 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -91.32 16.34 10.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 0.0 109.278 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.8 m -102.43 39.44 1.51 Allowed 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.089 -0.96 . . . . 0.0 109.603 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -118.18 59.22 0.5 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.569 1.168 . . . . 0.0 111.084 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 140.95 -53.42 0.66 Allowed Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -158.92 97.69 1.43 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.54 0.788 . . . . 0.0 109.978 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.471 ' CB ' ' HB3' ' A' ' 34' ' ' CYS . 20.0 t -41.96 148.49 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 108.213 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.6 t -120.23 -10.18 9.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.424 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -101.98 158.49 16.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 108.321 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.501 HG22 ' H ' ' A' ' 28' ' ' ASN . 74.9 m -104.06 173.64 6.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 110.34 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.501 ' H ' HG22 ' A' ' 27' ' ' THR . 77.1 m-20 44.87 34.36 1.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 7.6 t -90.58 170.47 10.15 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.643 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -157.78 34.51 0.26 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.434 1.084 . . . . 0.0 110.01 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -78.1 -90.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 108.291 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -163.11 141.99 8.45 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.503 1.127 . . . . 0.0 109.354 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.1 m 74.3 6.15 4.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.593 1.183 . . . . 0.0 109.987 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.471 ' HB3' ' CB ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -119.35 -49.42 2.37 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.551 1.157 . . . . 0.0 108.372 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.7 tttt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.8 t . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -116.96 -8.83 11.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.0 m -59.66 -61.02 2.93 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.598 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.4 t -81.99 -32.92 30.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.43 1.081 . . . . 0.0 109.952 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -73.43 -91.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 1.172 . . . . 0.0 109.2 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 t -39.98 -49.79 2.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.991 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.64 30.71 6.05 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.409 1.068 . . . . 0.0 110.924 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.702 HG22 ' O ' ' A' ' 17' ' ' THR . 0.9 OUTLIER -143.26 81.09 1.7 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.525 0.779 . . . . 0.0 110.381 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.3 t -54.04 137.38 39.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.412 1.07 . . . . 0.0 108.284 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -139.95 47.61 1.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 64.5 m -107.53 42.6 1.3 Allowed 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.601 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -99.98 50.53 1.1 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.459 1.099 . . . . 0.0 110.905 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.07 -54.8 0.38 Allowed Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.49 147.87 32.64 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.407 0.71 . . . . 0.0 109.961 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.8 t -103.87 141.64 35.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 108.286 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.0 p -119.22 -19.71 8.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.481 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -92.74 157.61 16.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 108.324 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -106.58 -39.74 5.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.405 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -84.15 58.86 4.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.424 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -93.87 -176.87 4.17 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.664 179.854 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.48 ' O ' ' C ' ' A' ' 31' ' ' CYS . 1.5 t -176.69 -27.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.008 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.48 ' C ' ' O ' ' A' ' 30' ' ' SER . 1.6 p -35.9 134.54 0.37 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 108.354 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -68.44 -12.65 61.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 0.0 109.246 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.55 11.74 12.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.993 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.4 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 4.2 t -108.69 -63.43 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 108.277 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.9 mtpt . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.239 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.0 t . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -45.72 -26.16 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 110.291 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 69.6 m -56.31 -57.65 11.34 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.673 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.2 t -82.19 -30.12 31.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.441 1.088 . . . . 0.0 109.953 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -59.84 4.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.7 t -51.94 -45.1 64.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.922 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 131.46 -33.69 2.72 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.531 1.144 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 m -135.75 113.1 10.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 0.788 . . . . 0.0 110.406 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -47.39 100.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 108.289 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.499 ' O ' ' ND2' ' A' ' 19' ' ' ASN . 0.2 OUTLIER -94.58 21.69 7.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.568 1.168 . . . . 0.0 109.234 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.471 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -110.02 -7.25 14.96 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.608 179.785 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -42.33 -45.98 5.39 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.558 1.161 . . . . 0.0 110.985 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -92.99 -77.91 1.39 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.22 109.53 21.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.757 . . . . 0.0 110.085 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 47.7 t -86.86 161.77 18.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 108.311 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.8 t -161.47 -41.68 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.56 1.162 . . . . 0.0 110.36 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -48.65 135.71 14.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 108.308 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.88 -48.69 11.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.377 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -84.27 56.85 3.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.4 t -95.71 173.17 7.61 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.615 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.8 t -175.04 34.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.941 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.455 ' O ' ' CB ' ' A' ' 32' ' ' LYS . 1.7 m -68.95 -98.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 108.344 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 31' ' ' CYS . 5.0 mtmt 166.33 -30.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.98 14.87 5.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.989 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.5 p -133.9 -51.62 0.84 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.398 1.061 . . . . 0.0 108.26 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.4 mttt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.42 1.075 . . . . 0.0 109.218 -179.928 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.3 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -120.56 82.95 1.98 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.255 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -91.05 -75.74 0.46 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.626 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.54 ' O ' ' C ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -120.05 20.14 12.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 110.027 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.54 ' C ' ' O ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -29.03 -43.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 13' ' ' SER . 0.1 OUTLIER -36.37 -31.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.911 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 17' ' ' THR . . . -158.31 45.33 0.47 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.498 ' CB ' ' O ' ' A' ' 16' ' ' GLY . 0.5 OUTLIER 82.96 137.47 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 0.746 . . . . 0.0 110.437 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' THR . 0.5 OUTLIER -41.08 154.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 108.328 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -147.19 57.01 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.578 1.174 . . . . 0.0 109.299 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.447 ' CB ' ' HB3' ' A' ' 34' ' ' CYS . 2.2 m -87.12 31.78 0.71 Allowed 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.946 -1.024 . . . . 0.0 109.572 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -37.31 -81.96 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.569 1.168 . . . . 0.0 111.056 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.47 -139.98 0.06 OUTLIER Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.89 148.69 31.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.764 . . . . 0.0 110.047 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 93.1 m -59.68 131.37 50.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 108.265 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.5 t -112.79 -28.49 7.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.401 1.063 . . . . 0.0 110.413 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -74.46 169.66 17.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 108.255 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.6 m -103.03 140.13 37.69 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.47 1.106 . . . . 0.0 110.393 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 56.07 73.6 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.356 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.436 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 3.8 t -95.31 170.89 9.06 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.615 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.7 t -176.05 63.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.972 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.436 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -118.97 145.81 45.5 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.453 1.096 . . . . 0.0 108.336 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.87 -13.78 52.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.414 1.071 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.47 14.86 19.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.12 . . . . 0.0 110.018 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.447 ' HB3' ' CB ' ' A' ' 20' ' ' CYS . 19.8 p -144.24 -48.69 0.27 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 108.273 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 12' ' ' CYS . 3.8 p . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 15' ' ' SER . 2.1 mp0 -36.88 -31.9 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.501 1.126 . . . . 0.0 110.332 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 10' ' ' CYS . 56.4 m -50.37 -51.88 42.07 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.61 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.7 t -101.46 15.23 29.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.085 . . . . 0.0 109.995 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.2 -70.77 0.77 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 11' ' ' GLU . 0.6 OUTLIER -42.94 -48.93 5.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.495 ' O ' HG22 ' A' ' 17' ' ' THR . . . 134.29 103.55 0.79 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.546 1.154 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.495 HG22 ' O ' ' A' ' 16' ' ' GLY . 0.5 OUTLIER 73.54 148.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 110.424 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -105.45 150.32 25.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 108.364 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -146.66 54.6 1.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.233 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 69.6 m -95.88 33.38 1.69 Allowed 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.528 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.9 60.23 3.51 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 155.14 -65.77 0.32 Allowed Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.55 163.47 30.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 0.773 . . . . 0.0 110.027 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.0 t -98.92 142.99 29.73 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.483 1.114 . . . . 0.0 108.258 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.3 p -120.8 -33.81 3.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.369 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -82.26 -176.02 5.97 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.564 1.165 . . . . 0.0 108.323 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.435 ' N ' ' SG ' ' A' ' 26' ' ' CYS . 1.3 t -117.17 164.2 15.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.37 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 27' ' ' THR . 33.5 m-20 39.58 62.6 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.438 1.086 . . . . 0.0 109.344 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.439 ' O ' ' CD ' ' A' ' 35' ' ' LYS . 2.6 t -94.92 175.82 6.5 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.584 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.7 t -174.4 33.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.616 1.198 . . . . 0.0 110.026 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.542 ' O ' ' CB ' ' A' ' 32' ' ' LYS . 16.8 m -75.64 -76.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 108.326 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.542 ' CB ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER 160.45 146.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.409 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.51 7.29 6.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.968 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.7 p -127.99 -45.81 1.41 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.528 1.143 . . . . 0.0 108.284 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.439 ' CD ' ' O ' ' A' ' 29' ' ' CYS . 5.2 tttt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.6 t . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -89.97 81.42 6.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.081 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.401 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 58.5 m -74.7 -72.0 0.31 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.593 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.3 t -115.12 -37.52 4.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.976 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.5 ' O ' ' C ' ' A' ' 15' ' ' SER . 2.9 tttm 79.77 -48.73 0.37 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.558 1.161 . . . . 0.0 109.378 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.5 ' C ' ' O ' ' A' ' 14' ' ' LYS . 1.7 t -31.39 -43.33 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.996 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.46 ' O ' HG22 ' A' ' 17' ' ' THR . . . 164.51 99.53 0.14 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.458 1.099 . . . . 0.0 110.947 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.46 HG22 ' O ' ' A' ' 16' ' ' GLY . 0.5 OUTLIER 77.75 149.53 0.1 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.525 0.78 . . . . 0.0 110.383 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -52.23 161.37 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.393 1.058 . . . . 0.0 108.331 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.438 ' N ' ' SG ' ' A' ' 18' ' ' CYS . 4.7 t-20 -154.47 59.03 0.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 61.2 m -94.3 32.15 1.59 Allowed 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.636 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.45 -67.75 1.51 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.49 -74.89 0.24 Allowed Glycine 0 CA--C 1.531 1.088 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -158.19 126.82 5.5 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.56 0.8 . . . . 0.0 110.052 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.9 t -62.42 136.85 58.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 108.332 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.4 t -126.52 -40.22 1.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 110.407 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.401 ' SG ' ' HA ' ' A' ' 12' ' ' CYS . 1.2 p -52.71 171.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.637 1.211 . . . . 0.0 108.328 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.3 t -117.75 150.0 39.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.481 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.4 m120 57.74 53.71 6.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.385 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 5.0 t -95.63 171.13 8.86 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.492 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.7 t -172.73 60.45 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 110.007 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 97.8 m -94.43 -94.88 0.17 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 108.347 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -176.35 -37.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 m -73.12 -0.02 12.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.029 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.6 p -128.54 -47.52 1.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 108.312 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.419 1.074 . . . . 0.0 109.294 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 p . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -88.71 49.42 1.78 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.527 1.142 . . . . 0.0 110.256 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -87.47 -51.87 5.68 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.631 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.83 -33.2 8.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 109.988 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.87 -63.26 1.21 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.251 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.8 t -42.8 -53.67 4.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.044 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 141.29 -46.19 0.92 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.458 1.098 . . . . 0.0 111.013 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.7 m -123.01 101.08 7.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 110.424 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -45.95 111.34 0.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 108.343 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -99.72 27.19 5.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.604 1.19 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.47 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -106.47 -7.11 17.71 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.587 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -38.29 -46.67 1.98 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.459 1.099 . . . . 0.0 111.021 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -102.54 -89.16 2.08 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.11 109.15 5.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.356 0.68 . . . . 0.0 109.915 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 39.9 t -105.55 141.38 37.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 1.076 . . . . 0.0 108.274 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.2 p -135.84 -41.21 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.4 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -49.01 150.95 1.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 108.279 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -100.45 -43.1 6.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.356 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -84.83 58.25 4.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 t -93.13 177.72 5.97 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.571 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.8 t -165.48 31.16 0.06 Allowed 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.465 1.103 . . . . 0.0 109.947 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 73.7 m -96.16 142.89 27.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 108.393 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.31 -41.6 14.43 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.8 -12.23 16.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.078 . . . . 0.0 110.033 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -106.35 -18.77 13.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.584 1.177 . . . . 0.0 108.318 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.338 179.955 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.8 t . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.431 ' HA ' ' CB ' ' A' ' 14' ' ' LYS . 1.1 mp0 -54.44 -19.61 6.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.284 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.408 ' SG ' ' HB3' ' A' ' 20' ' ' CYS . 18.7 m -49.69 -50.37 43.96 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.556 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.0 t -83.08 -22.74 33.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.085 . . . . 0.0 109.937 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.431 ' CB ' ' HA ' ' A' ' 11' ' ' GLU . 0.6 OUTLIER -50.76 -59.72 3.8 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.498 1.124 . . . . 0.0 109.369 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 61.7 p -60.06 -34.95 74.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 110.009 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.03 -26.22 6.84 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.523 1.139 . . . . 0.0 111.069 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.8 m -133.26 120.9 21.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 0.737 . . . . 0.0 110.356 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.412 ' O ' ' SG ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -63.45 91.21 0.05 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.515 1.134 . . . . 0.0 108.285 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.539 ' ND2' ' O ' ' A' ' 19' ' ' ASN . 0.8 OUTLIER -93.13 22.68 4.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.487 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -92.24 -3.41 55.54 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.649 179.867 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.1 84.83 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.446 1.091 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 20' ' ' CYS . . . 143.71 -106.93 0.44 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.25 94.18 4.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.469 0.746 . . . . 0.0 110.055 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.459 ' CB ' ' HB2' ' A' ' 20' ' ' CYS . 11.7 p -101.32 162.58 12.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 108.347 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.5 p -115.65 -21.4 9.7 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.421 1.076 . . . . 0.0 110.396 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -49.8 144.18 6.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 108.268 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.81 -43.68 7.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.621 1.201 . . . . 0.0 110.377 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -84.5 57.88 4.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.225 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 t -95.08 174.31 7.14 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.635 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.8 t -164.25 37.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.97 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -118.87 -150.44 0.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 108.28 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.427 ' C ' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -124.16 -158.8 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.221 -179.898 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 47.84 22.05 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.427 ' N ' ' C ' ' A' ' 32' ' ' LYS . 27.7 p -157.17 -47.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 0.0 108.286 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.2 tttp . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.337 179.908 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 53.5 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -94.79 59.43 2.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 0.0 110.315 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 90.4 m -62.8 -69.25 0.27 Allowed 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.586 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.401 ' HG ' ' C ' ' A' ' 17' ' ' THR . 8.1 p -117.41 -12.29 10.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.414 1.071 . . . . 0.0 109.98 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 15' ' ' SER . 0.3 OUTLIER 71.39 -58.47 0.58 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.625 1.203 . . . . 0.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 14' ' ' LYS . 43.4 t -36.51 -56.91 0.79 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.535 1.147 . . . . 0.0 110.027 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 162.61 -47.67 0.33 Allowed Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.435 1.084 . . . . 0.0 111.011 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.401 ' C ' ' HG ' ' A' ' 13' ' ' SER . 1.9 m -82.4 94.88 7.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 0.791 . . . . 0.0 110.448 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.419 ' O ' ' SG ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -47.68 108.46 0.16 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.566 1.166 . . . . 0.0 108.248 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -96.03 24.9 5.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.401 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.526 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -89.43 -3.22 58.5 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.566 179.872 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 20' ' ' CYS . . . -33.4 -48.68 0.47 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.563 1.164 . . . . 0.0 111.018 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 20' ' ' CYS . . . -93.05 -145.92 18.2 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.24 94.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 110.038 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.434 ' CB ' ' HB2' ' A' ' 20' ' ' CYS . 27.7 p -80.99 155.09 26.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 108.279 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.4 t -128.68 17.07 6.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.578 1.174 . . . . 0.0 110.405 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.5 p -87.57 166.08 14.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 108.25 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 98.6 m -103.2 154.32 19.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.369 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 46.49 70.23 0.41 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.356 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.3 t -95.72 172.37 8.08 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.523 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.96 58.03 0.1 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.507 1.129 . . . . 0.0 109.946 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 70.7 m -123.39 136.83 54.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 108.309 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.86 -5.2 44.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.84 10.65 25.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.035 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 17.3 p -148.52 -47.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 108.214 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.23 -179.88 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.443 ' SG ' ' HA ' ' A' ' 29' ' ' CYS . 3.6 t . . . . . 0 CA--C 1.532 0.261 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.5 44.19 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 110.277 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.438 ' HB3' ' HA ' ' A' ' 18' ' ' CYS . 6.4 m -69.58 -77.05 0.09 Allowed 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.043 -0.981 . . . . 0.0 109.602 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 17' ' ' THR . 5.0 p -122.34 -27.33 4.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.003 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 15' ' ' SER . 0.7 OUTLIER 79.37 -55.67 0.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 14' ' ' LYS . 40.5 t -39.36 -53.85 1.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.172 . . . . 0.0 110.023 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 162.23 -27.75 0.26 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.387 1.055 . . . . 0.0 110.968 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.466 ' O ' ' CB ' ' A' ' 13' ' ' SER . 10.6 t -115.97 113.86 23.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 110.408 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.438 ' HA ' ' HB3' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -40.35 145.71 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 108.303 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -142.4 53.31 1.43 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.402 1.064 . . . . 0.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.1 m -85.63 31.37 0.6 Allowed 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.584 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.05 -49.93 3.18 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.542 1.151 . . . . 0.0 110.96 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.58 -61.05 5.63 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.56 137.85 4.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.403 0.707 . . . . 0.0 109.967 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.0 t -79.76 142.43 35.4 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.355 1.034 . . . . 0.0 108.359 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.4 p -124.74 -40.8 2.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.593 1.183 . . . . 0.0 110.347 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -49.69 132.47 21.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.555 1.16 . . . . 0.0 108.3 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.9 t -74.29 -35.52 63.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.429 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -124.28 75.84 1.42 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.443 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 5.2 t -70.86 164.65 24.87 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.553 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 p -130.75 1.75 4.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.081 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.1 p -107.76 175.93 5.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 108.325 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.9 mtmm -104.02 -153.66 0.48 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.57 1.169 . . . . 0.0 109.307 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 57.19 15.58 2.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.983 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 6.3 p -161.88 -52.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 108.345 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt . . . . . 0 C--N 1.327 -0.4 0 O-C-N 124.577 1.173 . . . . 0.0 109.285 179.982 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.4 ' HG2' ' CB ' ' A' ' 14' ' ' LYS . 42.3 mt-10 -127.47 80.84 1.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.402 ' HB3' ' HB2' ' A' ' 18' ' ' CYS . 2.3 m -60.63 -61.67 2.42 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.942 -1.026 . . . . 0.0 109.579 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.5 OUTLIER -96.06 -30.78 13.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.603 1.189 . . . . 0.0 110.036 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.4 ' CB ' ' HG2' ' A' ' 11' ' ' GLU . 3.4 mptp? -45.01 -52.7 8.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.383 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.8 p -60.68 -30.17 69.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.042 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 13' ' ' SER . . . 140.57 82.74 0.08 OUTLIER Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.537 1.148 . . . . 0.0 110.949 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 16' ' ' GLY . 0.4 OUTLIER 60.47 143.7 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.501 0.766 . . . . 0.0 110.446 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.402 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 7.1 t -74.78 122.27 23.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 108.283 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -128.24 45.91 2.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.598 1.186 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 98.9 m -87.4 31.84 0.73 Allowed 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.595 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.31 56.24 4.94 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.574 1.171 . . . . 0.0 110.967 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.76 23.92 21.99 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -163.45 87.79 0.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 0.0 109.895 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.2 t -79.49 139.63 37.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.072 . . . . 0.0 108.237 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.9 t -124.53 -36.92 2.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.109 . . . . 0.0 110.367 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -76.85 151.39 35.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 108.345 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.5 HG23 ' N ' ' A' ' 28' ' ' ASN . 0.3 OUTLIER -89.13 170.69 10.4 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.468 1.105 . . . . 0.0 110.37 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.5 ' N ' HG23 ' A' ' 27' ' ' THR . 9.8 p-10 33.4 54.73 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 14.3 t -87.51 167.57 13.84 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.629 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.1 t -176.52 34.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.112 . . . . 0.0 109.992 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 8.0 p -79.9 -49.45 11.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 108.321 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.461 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 4.3 tmtt? 171.08 140.7 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.582 1.176 . . . . 0.0 109.397 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.436 ' N ' ' HG2' ' A' ' 32' ' ' LYS . 0.4 OUTLIER 68.33 15.77 9.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.966 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.9 m -130.52 -55.67 1.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 108.255 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.946 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -84.69 71.12 10.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.585 1.178 . . . . 0.0 110.252 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.424 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.5 OUTLIER -81.29 -36.34 29.97 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.612 179.882 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.424 ' CB ' ' O ' ' A' ' 12' ' ' CYS . 0.5 OUTLIER 164.5 -30.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 110.029 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 15' ' ' SER . 27.8 mttm 72.14 -57.61 0.61 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.394 1.058 . . . . 0.0 109.26 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 14' ' ' LYS . 24.9 t -35.29 -56.63 0.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 0.0 110.029 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 155.22 -21.31 0.56 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.477 1.111 . . . . 0.0 111.05 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.0 m -73.71 93.02 2.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.579 0.811 . . . . 0.0 110.449 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.32 138.21 31.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.445 1.091 . . . . 0.0 108.222 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -95.43 23.83 5.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.393 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.6 m -108.97 39.57 2.0 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.564 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -110.06 27.36 11.94 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.468 1.105 . . . . 0.0 111.088 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 179.59 -40.93 0.08 OUTLIER Glycine 0 CA--C 1.529 0.941 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.05 133.27 5.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.467 0.745 . . . . 0.0 110.032 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.8 t -88.05 144.43 26.52 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.511 1.132 . . . . 0.0 108.219 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.2 t -120.01 -16.72 8.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 110.418 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.93 139.92 30.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 108.283 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -87.98 -43.95 11.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.166 . . . . 0.0 110.423 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.568 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 2.2 p-10 -88.66 47.27 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.5 t -95.39 171.99 8.36 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.612 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.9 t -174.13 53.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 110.065 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.2 m -103.22 -73.31 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 108.303 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 33' ' ' SER . 0.0 OUTLIER -179.23 137.29 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.619 1.199 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 0.1 OUTLIER 79.0 8.76 1.88 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.468 1.105 . . . . 0.0 110.008 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.85 -53.8 2.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 108.29 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.373 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.6 p . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.4 ' O ' ' SG ' ' A' ' 26' ' ' CYS . 3.4 mp0 -67.66 76.37 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.426 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 1.2 m -73.17 -71.39 0.31 Allowed 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.585 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 17' ' ' THR . 32.2 t -118.31 -33.45 4.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.598 1.186 . . . . 0.0 110.033 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 13' ' ' SER . 1.2 tttp 84.41 -55.17 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 109.232 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.2 p -40.38 -47.17 2.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.007 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 155.79 -24.04 0.55 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.511 1.132 . . . . 0.0 111.038 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.508 ' O ' ' CB ' ' A' ' 13' ' ' SER . 5.8 t -125.36 117.48 23.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 0.781 . . . . 0.0 110.328 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -40.18 147.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 108.275 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.423 ' N ' ' HB2' ' A' ' 13' ' ' SER . 26.1 t-20 -152.93 59.6 0.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.355 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.7 m -79.86 9.49 5.22 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.59 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.57 -36.27 92.25 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.605 1.191 . . . . 0.0 110.969 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -104.57 70.5 0.25 Allowed Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.86 162.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.761 . . . . 0.0 109.973 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.413 ' HB2' ' CB ' ' A' ' 34' ' ' CYS . 8.1 t -107.97 142.07 38.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 108.259 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.3 p -118.61 -18.03 9.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 110.334 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.426 ' SG ' ' HA ' ' A' ' 12' ' ' CYS . 1.4 p -97.1 164.27 12.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.568 1.168 . . . . 0.0 108.317 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.479 HG23 ' N ' ' A' ' 28' ' ' ASN . 0.8 OUTLIER -109.43 -177.49 3.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.419 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.479 ' N ' HG23 ' A' ' 27' ' ' THR . 20.3 p30 39.06 31.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.619 1.2 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.442 ' N ' ' C ' ' A' ' 27' ' ' THR . 5.5 t -83.02 171.56 13.67 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.908 -1.042 . . . . 0.0 109.632 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.9 t -169.72 63.22 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.985 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.401 ' O ' ' HB3' ' A' ' 32' ' ' LYS . 95.3 m -105.28 -87.37 0.45 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 108.309 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -176.2 139.89 0.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.081 . . . . 0.0 109.386 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.46 9.12 5.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.001 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.413 ' CB ' ' HB2' ' A' ' 24' ' ' CYS . 11.1 p -130.5 -48.63 1.07 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.519 1.137 . . . . 0.0 108.299 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.4 tttm . . . . . 0 C--N 1.326 -0.433 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.973 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.446 ' O ' ' CB ' ' A' ' 15' ' ' SER . 14.6 mm-40 -68.35 -11.32 59.38 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.541 1.15 . . . . 0.0 110.278 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 67.5 m -60.49 -56.94 15.31 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.597 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.2 m -86.87 -33.35 19.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 109.974 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -66.17 -74.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 1.3 p -44.8 -50.5 10.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.052 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.63 -58.76 0.58 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.44 1.087 . . . . 0.0 110.961 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.3 m -89.17 87.6 7.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 110.399 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -50.6 103.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 108.302 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -97.25 23.36 7.53 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.453 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -98.0 -7.74 29.33 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.549 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -47.97 101.43 0.04 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.575 1.172 . . . . 0.0 111.02 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 24' ' ' CYS . . . 108.0 -118.74 5.52 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.494 ' O ' HG23 ' A' ' 25' ' ' THR . 0.3 OUTLIER -58.33 86.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.562 0.801 . . . . 0.0 109.996 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.433 ' N ' ' O ' ' A' ' 22' ' ' GLY . 8.6 t -58.81 137.89 57.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 108.316 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.494 HG23 ' O ' ' A' ' 23' ' ' SER . 21.6 p -136.96 -42.33 0.58 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 0.0 110.406 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -49.75 165.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 108.304 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.1 m -102.3 149.43 24.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.472 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.0 m120 43.59 76.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.1 t -95.63 171.57 8.59 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.622 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.3 t -145.83 17.42 1.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.97 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.1 m -78.25 144.94 35.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.641 1.213 . . . . 0.0 108.3 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.9 pttm -94.54 -5.66 45.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.431 1.082 . . . . 0.0 109.325 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.87 14.86 22.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.13 . . . . 0.0 110.049 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.7 p -142.81 -48.07 0.33 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 108.288 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.8 mptt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.209 -179.913 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -157.11 100.88 1.89 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.406 1.066 . . . . 0.0 110.282 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.13 -81.15 0.34 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.58 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.462 ' O ' ' C ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -120.35 17.65 12.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.394 1.059 . . . . 0.0 109.951 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 16' ' ' GLY . 9.3 mtpt -35.1 -40.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.3 t -38.04 -30.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 14' ' ' LYS . . . -168.16 74.02 0.13 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.57 1.169 . . . . 0.0 111.039 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 18' ' ' CYS . 0.6 OUTLIER 66.47 117.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 0.767 . . . . 0.0 110.375 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -40.05 157.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 108.261 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.425 ' N ' ' HB2' ' A' ' 13' ' ' SER . 1.0 OUTLIER -149.23 58.83 1.03 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.8 m -84.93 31.27 0.55 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.975 -1.012 . . . . 0.0 109.594 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -76.81 -45.45 12.57 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.537 1.148 . . . . 0.0 111.0 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.65 -69.45 1.38 Allowed Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -167.52 145.32 4.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 0.751 . . . . 0.0 109.988 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 89.6 m -64.2 126.79 28.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 0.0 108.234 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.4 t -99.39 -27.19 13.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.339 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.84 161.47 15.96 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.142 . . . . 0.0 108.257 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.08 -54.65 3.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.426 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -86.28 50.58 2.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.428 ' HG ' ' HG ' ' A' ' 31' ' ' CYS . 4.9 t -67.26 171.51 5.74 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.562 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 t -174.83 79.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.957 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.428 ' HG ' ' HG ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -135.84 155.01 50.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.457 1.098 . . . . 0.0 108.346 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.3 -4.96 59.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.49 8.19 45.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 1.171 . . . . 0.0 110.005 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 6.7 p -144.78 -46.46 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 108.269 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -60.21 -16.15 30.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.6 m -64.42 -63.72 1.06 Allowed 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.514 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 84.1 p -76.97 -36.47 56.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.421 1.076 . . . . 0.0 109.974 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.405 ' HG2' ' N ' ' A' ' 15' ' ' SER . 20.2 ttpp -58.18 -89.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.384 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.405 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 46.7 t -43.16 -44.09 4.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 110.019 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.79 35.14 4.69 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.655 1.222 . . . . 0.0 110.951 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.0 m -154.46 108.91 3.01 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.441 0.73 . . . . 0.0 110.509 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.3 114.76 2.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 108.284 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.47 ' O ' ' ND2' ' A' ' 19' ' ' ASN . 0.2 OUTLIER -93.47 23.71 4.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.402 1.064 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.7 m -104.44 38.78 1.8 Allowed 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.672 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.65 -47.06 1.14 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.525 1.141 . . . . 0.0 110.963 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -94.8 -52.58 1.78 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.064 -0.815 . . . . 0.0 111.064 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -163.29 106.66 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 0.796 . . . . 0.0 110.014 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.7 t -57.2 141.03 47.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.406 1.066 . . . . 0.0 108.272 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.8 t -125.08 -40.19 2.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.583 1.177 . . . . 0.0 110.393 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.55 139.99 36.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.396 1.06 . . . . 0.0 108.271 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.4 t -92.25 -43.35 9.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.516 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -85.71 53.18 2.68 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.6 t -96.01 175.0 6.65 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.557 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.5 t -165.21 29.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.386 1.054 . . . . 0.0 109.975 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 2.6 m -95.09 150.42 20.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 108.355 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.5 ptpp? -82.44 -4.65 57.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.43 8.5 13.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.021 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.5 p -140.49 -49.09 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 108.309 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.226 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 168.13 25.51 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.477 1.777 . . . . 0.0 111.045 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 27' ' ' THR . 3.5 t -76.49 146.7 38.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 108.282 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -47.82 -26.81 1.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 110.337 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 73.0 m -61.17 -60.84 3.12 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.64 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 77.6 p -72.79 -32.54 65.65 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.52 1.137 . . . . 0.0 110.041 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -73.74 0.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.2 t -43.52 -51.86 6.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 110.001 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 120.73 -28.81 6.05 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.1 m -121.2 102.64 8.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 0.743 . . . . 0.0 110.46 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -54.6 152.56 6.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 108.322 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -146.69 54.41 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 61.8 m -103.54 38.75 1.73 Allowed 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.566 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.63 95.43 2.08 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.427 1.079 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 126.14 -80.57 0.36 Allowed Glycine 0 CA--C 1.531 1.072 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.11 146.5 52.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.568 0.805 . . . . 0.0 109.978 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.1 t -90.54 140.01 30.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.148 . . . . 0.0 108.293 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 75.0 p -132.91 -41.75 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.438 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.2 p -53.68 167.69 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 108.316 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.404 ' O ' ' SG ' ' A' ' 10' ' ' CYS . 22.5 m -110.28 162.26 14.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.581 1.175 . . . . 0.0 110.382 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 44.72 61.1 2.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.113 . . . . 0.0 109.213 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.0 t -94.45 176.05 6.44 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.631 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.5 t -170.45 45.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.42 1.075 . . . . 0.0 110.008 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 2.0 m -106.57 149.93 26.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 108.218 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.78 -5.8 59.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.388 1.055 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.02 6.13 43.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.974 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.2 p -144.28 -48.34 0.27 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 108.307 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.6 tttt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 109.366 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 t0 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 166.47 29.18 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.421 1.748 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.4 ' SG ' ' HA ' ' A' ' 29' ' ' CYS . 22.2 p -118.95 155.06 32.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 108.268 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -111.73 81.08 1.4 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.479 1.112 . . . . 0.0 110.339 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.517 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 69.1 m -48.17 -55.5 10.22 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.578 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.4 t -127.15 0.5 6.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.434 1.084 . . . . 0.0 110.003 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 72.01 -59.22 0.56 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.0 p -38.7 -34.68 0.15 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.9 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 117.49 34.5 1.19 Allowed Glycine 0 CA--C 1.528 0.894 0 O-C-N 124.505 1.128 . . . . 0.0 111.055 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.8 m -150.48 117.47 5.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 0.729 . . . . 0.0 110.504 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.517 ' HA ' ' CB ' ' A' ' 12' ' ' CYS . 3.5 t -55.75 129.94 41.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 108.355 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.486 ' O ' ' ND2' ' A' ' 19' ' ' ASN . 0.4 OUTLIER -144.2 52.45 1.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 89.7 m -88.12 33.17 0.74 Allowed 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.575 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.49 -33.27 8.1 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.553 1.158 . . . . 0.0 111.058 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -95.16 -55.85 1.34 Allowed Glycine 0 CA--C 1.529 0.945 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.55 144.12 12.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 0.749 . . . . 0.0 109.982 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.6 t -87.19 142.99 27.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 108.357 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 74.2 p -120.02 -7.91 9.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.399 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.418 ' SG ' ' HA ' ' A' ' 12' ' ' CYS . 0.1 OUTLIER -99.78 140.24 34.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 108.251 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.501 HG23 ' OD1' ' A' ' 28' ' ' ASN . 11.2 t -86.07 -31.09 22.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.54 1.15 . . . . 0.0 110.431 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.501 ' OD1' HG23 ' A' ' 27' ' ' THR . 12.4 m-20 -117.62 67.63 0.75 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.391 1.057 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.4 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 5.1 t -71.43 171.61 10.95 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.674 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 t -167.98 53.29 0.06 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.493 1.121 . . . . 0.0 110.043 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.3 p -126.33 167.49 15.44 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.425 1.078 . . . . 0.0 108.312 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.82 -7.66 42.7 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.35 12.61 26.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.404 1.065 . . . . 0.0 110.039 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 35.0 t -130.45 -49.18 1.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 108.296 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.1 mttt . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 167.18 27.65 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 111.036 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.6 t -77.44 149.06 35.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 108.326 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -80.23 62.3 4.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.088 . . . . 0.0 110.253 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.1 m -60.1 -63.81 1.17 Allowed 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.56 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.47 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 47.5 p -96.92 -6.58 35.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.985 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 13' ' ' SER . 0.0 OUTLIER 85.24 -54.98 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.36 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 14' ' ' LYS . 14.5 p -38.14 -31.62 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.108 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 14' ' ' LYS . . . 117.12 32.0 1.61 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.465 1.103 . . . . 0.0 111.058 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.1 t -147.83 131.76 17.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.429 0.723 . . . . 0.0 110.381 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.0 t -55.33 139.13 43.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 108.315 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -146.19 52.95 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.092 . . . . 0.0 109.305 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 89.0 m -104.84 36.68 2.36 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.567 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -93.92 74.07 1.13 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 146.4 -67.92 0.4 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.39 144.89 33.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 0.747 . . . . 0.0 109.97 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.4 t -99.87 139.3 35.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 108.256 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.8 t -125.35 -36.48 2.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.419 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.8 p -67.08 168.24 10.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 108.337 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.546 HG22 ' H ' ' A' ' 28' ' ' ASN . 88.4 m -113.13 175.31 5.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 110.358 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.546 ' H ' HG22 ' A' ' 27' ' ' THR . 9.7 m120 41.6 46.64 3.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.402 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 3.9 t -95.36 171.98 8.38 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.601 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 t -175.15 68.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.58 1.175 . . . . 0.0 110.003 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.402 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 0.7 OUTLIER -121.11 -73.27 0.65 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 108.258 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.445 ' O ' ' CB ' ' A' ' 33' ' ' SER . 0.1 OUTLIER -178.51 137.12 0.16 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 0.0 109.282 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.445 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 0.4 OUTLIER 81.09 9.31 1.02 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.013 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.48 -56.87 2.31 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.414 1.071 . . . . 0.0 108.298 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.959 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.451 -0.379 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.82 170.78 19.6 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.511 1.796 . . . . 0.0 111.052 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.49 163.62 25.43 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.537 1.148 . . . . 0.0 108.305 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.467 ' HA ' ' CB ' ' A' ' 14' ' ' LYS . 10.8 mt-10 -92.58 21.34 5.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.9 m -67.77 -71.2 0.22 Allowed 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.579 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.514 ' HA ' ' CA ' ' A' ' 17' ' ' THR . 34.6 p -90.18 -0.51 57.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 110.01 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.467 ' CB ' ' HA ' ' A' ' 11' ' ' GLU . 2.0 tptt -49.1 -53.42 20.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.6 t -62.06 -21.62 65.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.016 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 146.39 -23.69 1.7 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.514 ' CA ' ' HA ' ' A' ' 13' ' ' SER . 0.8 OUTLIER -178.92 138.15 0.15 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.449 0.735 . . . . 0.0 110.299 -179.851 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 17' ' ' THR . 11.2 t -41.61 129.76 3.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 108.324 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -142.5 52.4 1.43 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 1.116 . . . . 0.0 109.38 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 92.8 m -84.35 14.2 4.64 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.655 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.77 40.9 2.32 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.495 1.122 . . . . 0.0 110.937 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -162.42 -50.23 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -176.37 94.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 0.0 110.011 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.422 ' HB2' ' CB ' ' A' ' 34' ' ' CYS . 10.5 t -43.49 147.11 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 108.268 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 74.7 p -121.69 -31.75 3.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.405 1.066 . . . . 0.0 110.438 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.412 ' CB ' ' HB2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -76.49 140.78 41.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.135 . . . . 0.0 108.343 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.26 -57.98 3.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.596 1.185 . . . . 0.0 110.439 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -84.28 56.08 3.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 9.0 t -95.18 170.86 9.1 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.636 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.6 t -165.43 49.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 110.04 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -89.62 -91.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 108.321 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -178.99 139.59 0.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.22 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.4 t 73.45 6.91 5.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.585 1.178 . . . . 0.0 110.075 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.422 ' CB ' ' HB2' ' A' ' 24' ' ' CYS . 5.9 p -124.84 -49.03 1.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 108.223 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.925 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.2 t0 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 170.12 21.12 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.529 1.805 . . . . 0.0 111.016 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 p -74.99 156.19 36.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 108.317 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.54 61.86 0.24 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.252 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.75 -72.47 0.21 Allowed 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.585 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 16' ' ' GLY . 96.5 p -114.92 15.73 17.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.913 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.23 -59.63 2.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.39 -23.51 6.13 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 110.026 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 13' ' ' SER . . . 117.56 28.58 2.28 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 179.4 126.38 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 0.736 . . . . 0.0 110.425 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -48.24 133.63 15.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 108.308 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -91.32 16.34 10.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 0.0 109.278 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.8 m -102.43 39.44 1.51 Allowed 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.089 -0.96 . . . . 0.0 109.603 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -118.18 59.22 0.5 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.569 1.168 . . . . 0.0 111.084 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 140.95 -53.42 0.66 Allowed Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -158.92 97.69 1.43 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.54 0.788 . . . . 0.0 109.978 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.471 ' CB ' ' HB3' ' A' ' 34' ' ' CYS . 20.0 t -41.96 148.49 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 108.213 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.6 t -120.23 -10.18 9.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.424 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -101.98 158.49 16.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 108.321 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.501 HG22 ' H ' ' A' ' 28' ' ' ASN . 74.9 m -104.06 173.64 6.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 110.34 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.501 ' H ' HG22 ' A' ' 27' ' ' THR . 77.1 m-20 44.87 34.36 1.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 7.6 t -90.58 170.47 10.15 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.643 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -157.78 34.51 0.26 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.434 1.084 . . . . 0.0 110.01 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -78.1 -90.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 108.291 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -163.11 141.99 8.45 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.503 1.127 . . . . 0.0 109.354 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.1 m 74.3 6.15 4.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.593 1.183 . . . . 0.0 109.987 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.471 ' HB3' ' CB ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -119.35 -49.42 2.37 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.551 1.157 . . . . 0.0 108.372 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.7 tttt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.53 0.199 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 162.35 37.41 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.46 1.769 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.8 t 63.25 141.59 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.511 1.132 . . . . 0.0 108.32 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -116.96 -8.83 11.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.0 m -59.66 -61.02 2.93 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.598 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.4 t -81.99 -32.92 30.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.43 1.081 . . . . 0.0 109.952 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -73.43 -91.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 1.172 . . . . 0.0 109.2 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 t -39.98 -49.79 2.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.991 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.64 30.71 6.05 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.409 1.068 . . . . 0.0 110.924 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.702 HG22 ' O ' ' A' ' 17' ' ' THR . 0.9 OUTLIER -143.26 81.09 1.7 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.525 0.779 . . . . 0.0 110.381 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.3 t -54.04 137.38 39.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.412 1.07 . . . . 0.0 108.284 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -139.95 47.61 1.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 64.5 m -107.53 42.6 1.3 Allowed 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.601 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -99.98 50.53 1.1 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.459 1.099 . . . . 0.0 110.905 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.07 -54.8 0.38 Allowed Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.49 147.87 32.64 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.407 0.71 . . . . 0.0 109.961 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.8 t -103.87 141.64 35.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 108.286 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.0 p -119.22 -19.71 8.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.481 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -92.74 157.61 16.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 108.324 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -106.58 -39.74 5.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.405 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -84.15 58.86 4.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.441 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -93.87 -176.87 4.17 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.664 179.854 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.48 ' O ' ' C ' ' A' ' 31' ' ' CYS . 1.5 t -176.69 -27.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.008 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.48 ' C ' ' O ' ' A' ' 30' ' ' SER . 1.6 p -35.9 134.54 0.37 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 108.354 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -68.44 -12.65 61.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 0.0 109.246 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.55 11.74 12.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.993 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.4 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 4.2 t -108.69 -63.43 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 108.277 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.9 mtpt . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.239 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 166.59 28.89 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.519 1.8 . . . . 0.0 111.06 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.0 t -101.37 157.75 16.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 108.22 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -45.72 -26.16 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 110.291 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 69.6 m -56.31 -57.65 11.34 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.673 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.2 t -82.19 -30.12 31.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.441 1.088 . . . . 0.0 109.953 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -59.84 4.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.7 t -51.94 -45.1 64.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.922 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 131.46 -33.69 2.72 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.531 1.144 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 m -135.75 113.1 10.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 0.788 . . . . 0.0 110.406 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -47.39 100.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 108.289 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.499 ' O ' ' ND2' ' A' ' 19' ' ' ASN . 0.2 OUTLIER -94.58 21.69 7.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.568 1.168 . . . . 0.0 109.234 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.471 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -110.02 -7.25 14.96 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.608 179.785 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -42.33 -45.98 5.39 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.558 1.161 . . . . 0.0 110.985 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -92.99 -77.91 1.39 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.22 109.53 21.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.757 . . . . 0.0 110.085 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 47.7 t -86.86 161.77 18.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 108.311 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.8 t -161.47 -41.68 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.56 1.162 . . . . 0.0 110.36 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -48.65 135.71 14.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 108.308 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.88 -48.69 11.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.377 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -84.27 56.85 3.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.4 t -95.71 173.17 7.61 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.615 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.8 t -175.04 34.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.941 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.455 ' O ' ' CB ' ' A' ' 32' ' ' LYS . 1.7 m -68.95 -98.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 108.344 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 31' ' ' CYS . 5.0 mtmt 166.33 -30.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.98 14.87 5.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.989 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.5 p -133.9 -51.62 0.84 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.398 1.061 . . . . 0.0 108.26 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.4 mttt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.42 1.075 . . . . 0.0 109.218 -179.928 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 t70 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.417 ' O ' ' O ' ' A' ' 10' ' ' CYS . 18.4 Cg_endo -74.94 153.31 41.99 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.472 1.775 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.417 ' O ' ' O ' ' A' ' 9' ' ' PRO . 38.3 t 56.94 164.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 108.321 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -120.56 82.95 1.98 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.255 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -91.05 -75.74 0.46 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.626 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.54 ' O ' ' C ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -120.05 20.14 12.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 110.027 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.54 ' C ' ' O ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -29.03 -43.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 13' ' ' SER . 0.1 OUTLIER -36.37 -31.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.911 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 17' ' ' THR . . . -158.31 45.33 0.47 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.498 ' CB ' ' O ' ' A' ' 16' ' ' GLY . 0.5 OUTLIER 82.96 137.47 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 0.746 . . . . 0.0 110.437 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' THR . 0.5 OUTLIER -41.08 154.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 108.328 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -147.19 57.01 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.578 1.174 . . . . 0.0 109.299 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.447 ' CB ' ' HB3' ' A' ' 34' ' ' CYS . 2.2 m -87.12 31.78 0.71 Allowed 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.946 -1.024 . . . . 0.0 109.572 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -37.31 -81.96 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.569 1.168 . . . . 0.0 111.056 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.47 -139.98 0.06 OUTLIER Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.89 148.69 31.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.764 . . . . 0.0 110.047 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 93.1 m -59.68 131.37 50.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 108.265 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.5 t -112.79 -28.49 7.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.401 1.063 . . . . 0.0 110.413 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -74.46 169.66 17.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 108.255 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.6 m -103.03 140.13 37.69 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.47 1.106 . . . . 0.0 110.393 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 56.07 73.6 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.356 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.436 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 3.8 t -95.31 170.89 9.06 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.615 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.7 t -176.05 63.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.972 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.436 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -118.97 145.81 45.5 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.453 1.096 . . . . 0.0 108.336 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.87 -13.78 52.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.414 1.071 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.47 14.86 19.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.12 . . . . 0.0 110.018 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.447 ' HB3' ' CB ' ' A' ' 20' ' ' CYS . 19.8 p -144.24 -48.69 0.27 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 108.273 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 156.09 42.97 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.413 1.744 . . . . 0.0 111.026 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 12' ' ' CYS . 3.8 p -146.42 167.11 24.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.58 1.175 . . . . 0.0 108.209 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 15' ' ' SER . 2.1 mp0 -36.88 -31.9 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.501 1.126 . . . . 0.0 110.332 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 10' ' ' CYS . 56.4 m -50.37 -51.88 42.07 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.61 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.7 t -101.46 15.23 29.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.085 . . . . 0.0 109.995 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.2 -70.77 0.77 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 11' ' ' GLU . 0.6 OUTLIER -42.94 -48.93 5.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.495 ' O ' HG22 ' A' ' 17' ' ' THR . . . 134.29 103.55 0.79 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.546 1.154 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.495 HG22 ' O ' ' A' ' 16' ' ' GLY . 0.5 OUTLIER 73.54 148.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 110.424 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -105.45 150.32 25.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 108.364 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -146.66 54.6 1.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.233 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 69.6 m -95.88 33.38 1.69 Allowed 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.528 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.9 60.23 3.51 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 155.14 -65.77 0.32 Allowed Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.55 163.47 30.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 0.773 . . . . 0.0 110.027 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.0 t -98.92 142.99 29.73 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.483 1.114 . . . . 0.0 108.258 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.3 p -120.8 -33.81 3.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.369 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -82.26 -176.02 5.97 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.564 1.165 . . . . 0.0 108.323 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.435 ' N ' ' SG ' ' A' ' 26' ' ' CYS . 1.3 t -117.17 164.2 15.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.37 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 27' ' ' THR . 33.5 m-20 39.58 62.6 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.438 1.086 . . . . 0.0 109.344 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.439 ' O ' ' CD ' ' A' ' 35' ' ' LYS . 2.6 t -94.92 175.82 6.5 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.584 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.7 t -174.4 33.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.616 1.198 . . . . 0.0 110.026 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.542 ' O ' ' CB ' ' A' ' 32' ' ' LYS . 16.8 m -75.64 -76.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 108.326 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.542 ' CB ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER 160.45 146.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.409 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.51 7.29 6.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.968 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.7 p -127.99 -45.81 1.41 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.528 1.143 . . . . 0.0 108.284 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.439 ' CD ' ' O ' ' A' ' 29' ' ' CYS . 5.2 tttt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.3 t0 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.11 169.66 22.09 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.515 1.798 . . . . 0.0 110.957 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.6 t -82.66 152.65 25.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 108.271 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -89.97 81.42 6.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.081 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.401 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 58.5 m -74.7 -72.0 0.31 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.593 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.3 t -115.12 -37.52 4.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.976 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.5 ' O ' ' C ' ' A' ' 15' ' ' SER . 2.9 tttm 79.77 -48.73 0.37 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.558 1.161 . . . . 0.0 109.378 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.5 ' C ' ' O ' ' A' ' 14' ' ' LYS . 1.7 t -31.39 -43.33 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.996 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.46 ' O ' HG22 ' A' ' 17' ' ' THR . . . 164.51 99.53 0.14 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.458 1.099 . . . . 0.0 110.947 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.46 HG22 ' O ' ' A' ' 16' ' ' GLY . 0.5 OUTLIER 77.75 149.53 0.1 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.525 0.78 . . . . 0.0 110.383 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -52.23 161.37 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.393 1.058 . . . . 0.0 108.331 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.438 ' N ' ' SG ' ' A' ' 18' ' ' CYS . 4.7 t-20 -154.47 59.03 0.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 61.2 m -94.3 32.15 1.59 Allowed 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.636 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.45 -67.75 1.51 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.49 -74.89 0.24 Allowed Glycine 0 CA--C 1.531 1.088 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -158.19 126.82 5.5 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.56 0.8 . . . . 0.0 110.052 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.9 t -62.42 136.85 58.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 108.332 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.4 t -126.52 -40.22 1.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 110.407 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.401 ' SG ' ' HA ' ' A' ' 12' ' ' CYS . 1.2 p -52.71 171.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.637 1.211 . . . . 0.0 108.328 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.3 t -117.75 150.0 39.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.481 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.4 m120 57.74 53.71 6.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.385 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 5.0 t -95.63 171.13 8.86 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.492 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.7 t -172.73 60.45 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 110.007 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 97.8 m -94.43 -94.88 0.17 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 108.347 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -176.35 -37.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 m -73.12 -0.02 12.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.029 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.6 p -128.54 -47.52 1.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 108.312 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.419 1.074 . . . . 0.0 109.294 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 164.53 33.05 Favored 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.491 1.785 . . . . 0.0 110.973 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 p -78.58 160.72 27.45 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.49 1.119 . . . . 0.0 108.279 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -88.71 49.42 1.78 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.527 1.142 . . . . 0.0 110.256 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -87.47 -51.87 5.68 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.631 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.83 -33.2 8.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 109.988 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.87 -63.26 1.21 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.251 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.8 t -42.8 -53.67 4.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.044 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 141.29 -46.19 0.92 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.458 1.098 . . . . 0.0 111.013 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.7 m -123.01 101.08 7.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 110.424 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -45.95 111.34 0.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 108.343 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -99.72 27.19 5.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.604 1.19 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.47 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -106.47 -7.11 17.71 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.587 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -38.29 -46.67 1.98 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.459 1.099 . . . . 0.0 111.021 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -102.54 -89.16 2.08 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.11 109.15 5.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.356 0.68 . . . . 0.0 109.915 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 39.9 t -105.55 141.38 37.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 1.076 . . . . 0.0 108.274 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.2 p -135.84 -41.21 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.4 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -49.01 150.95 1.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 108.279 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -100.45 -43.1 6.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.356 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -84.83 58.25 4.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 t -93.13 177.72 5.97 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.571 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.8 t -165.48 31.16 0.06 Allowed 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.465 1.103 . . . . 0.0 109.947 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 73.7 m -96.16 142.89 27.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 108.393 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.31 -41.6 14.43 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.8 -12.23 16.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.078 . . . . 0.0 110.033 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -106.35 -18.77 13.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.584 1.177 . . . . 0.0 108.318 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.338 179.955 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 167.69 26.49 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.504 1.792 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.8 t -76.46 156.17 33.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 108.287 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.431 ' HA ' ' CB ' ' A' ' 14' ' ' LYS . 1.1 mp0 -54.44 -19.61 6.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.284 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 18.7 m -49.69 -50.37 43.96 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.556 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.0 t -83.08 -22.74 33.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.085 . . . . 0.0 109.937 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.431 ' CB ' ' HA ' ' A' ' 11' ' ' GLU . 0.6 OUTLIER -50.76 -59.72 3.8 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.498 1.124 . . . . 0.0 109.369 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 61.7 p -60.06 -34.95 74.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 110.009 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.03 -26.22 6.84 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.523 1.139 . . . . 0.0 111.069 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.8 m -133.26 120.9 21.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 0.737 . . . . 0.0 110.356 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.412 ' O ' ' SG ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -63.45 91.21 0.05 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.515 1.134 . . . . 0.0 108.285 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.539 ' ND2' ' O ' ' A' ' 19' ' ' ASN . 0.8 OUTLIER -93.13 22.68 4.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.487 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -92.24 -3.41 55.54 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.649 179.867 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.1 84.83 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.446 1.091 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 20' ' ' CYS . . . 143.71 -106.93 0.44 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.25 94.18 4.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.469 0.746 . . . . 0.0 110.055 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.459 ' CB ' ' HB2' ' A' ' 20' ' ' CYS . 11.7 p -101.32 162.58 12.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 108.347 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.5 p -115.65 -21.4 9.7 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.421 1.076 . . . . 0.0 110.396 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -49.8 144.18 6.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 108.268 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.81 -43.68 7.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.621 1.201 . . . . 0.0 110.377 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -84.5 57.88 4.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.225 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 t -95.08 174.31 7.14 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.635 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.8 t -164.25 37.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.97 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -118.87 -150.44 0.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 108.28 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.427 ' C ' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -124.16 -158.8 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.221 -179.898 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 47.84 22.05 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.427 ' N ' ' C ' ' A' ' 32' ' ' LYS . 27.7 p -157.17 -47.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 0.0 108.286 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.2 tttp . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.337 179.908 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.7 t70 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 154.15 42.15 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.513 1.796 . . . . 0.0 110.938 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 53.5 t 58.75 162.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.628 1.205 . . . . 0.0 108.322 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -94.79 59.43 2.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 0.0 110.315 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 90.4 m -62.8 -69.25 0.27 Allowed 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.586 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.401 ' HG ' ' C ' ' A' ' 17' ' ' THR . 8.1 p -117.41 -12.29 10.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.414 1.071 . . . . 0.0 109.98 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 15' ' ' SER . 0.3 OUTLIER 71.39 -58.47 0.58 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.625 1.203 . . . . 0.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 14' ' ' LYS . 43.4 t -36.51 -56.91 0.79 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.535 1.147 . . . . 0.0 110.027 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 162.61 -47.67 0.33 Allowed Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.435 1.084 . . . . 0.0 111.011 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.401 ' C ' ' HG ' ' A' ' 13' ' ' SER . 1.9 m -82.4 94.88 7.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 0.791 . . . . 0.0 110.448 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.419 ' O ' ' SG ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -47.68 108.46 0.16 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.566 1.166 . . . . 0.0 108.248 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -96.03 24.9 5.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.401 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.526 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -89.43 -3.22 58.5 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.566 179.872 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 20' ' ' CYS . . . -33.4 -48.68 0.47 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.563 1.164 . . . . 0.0 111.018 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 20' ' ' CYS . . . -93.05 -145.92 18.2 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.24 94.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 110.038 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.434 ' CB ' ' HB2' ' A' ' 20' ' ' CYS . 27.7 p -80.99 155.09 26.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 108.279 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.4 t -128.68 17.07 6.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.578 1.174 . . . . 0.0 110.405 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.5 p -87.57 166.08 14.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 108.25 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 98.6 m -103.2 154.32 19.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.369 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 46.49 70.23 0.41 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.356 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.3 t -95.72 172.37 8.08 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.523 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.96 58.03 0.1 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.507 1.129 . . . . 0.0 109.946 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 70.7 m -123.39 136.83 54.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 108.309 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.86 -5.2 44.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.84 10.65 25.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.035 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 17.3 p -148.52 -47.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 108.214 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.23 -179.88 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.9 t70 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 164.88 32.4 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.508 1.794 . . . . 0.0 110.944 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.443 ' SG ' ' HA ' ' A' ' 29' ' ' CYS . 3.6 t 65.65 152.3 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 108.257 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.5 44.19 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 110.277 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.438 ' HB3' ' HA ' ' A' ' 18' ' ' CYS . 6.4 m -69.58 -77.05 0.09 Allowed 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.043 -0.981 . . . . 0.0 109.602 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 17' ' ' THR . 5.0 p -122.34 -27.33 4.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.003 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 15' ' ' SER . 0.7 OUTLIER 79.37 -55.67 0.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 14' ' ' LYS . 40.5 t -39.36 -53.85 1.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.172 . . . . 0.0 110.023 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 162.23 -27.75 0.26 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.387 1.055 . . . . 0.0 110.968 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.466 ' O ' ' CB ' ' A' ' 13' ' ' SER . 10.6 t -115.97 113.86 23.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 110.408 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.438 ' HA ' ' HB3' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -40.35 145.71 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 108.303 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -142.4 53.31 1.43 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.402 1.064 . . . . 0.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.1 m -85.63 31.37 0.6 Allowed 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.584 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.05 -49.93 3.18 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.542 1.151 . . . . 0.0 110.96 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.58 -61.05 5.63 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.56 137.85 4.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.403 0.707 . . . . 0.0 109.967 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.0 t -79.76 142.43 35.4 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.355 1.034 . . . . 0.0 108.359 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.4 p -124.74 -40.8 2.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.593 1.183 . . . . 0.0 110.347 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -49.69 132.47 21.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.555 1.16 . . . . 0.0 108.3 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.9 t -74.29 -35.52 63.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.429 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -124.28 75.84 1.42 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.443 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 5.2 t -70.86 164.65 24.87 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.553 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 p -130.75 1.75 4.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.081 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.1 p -107.76 175.93 5.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 108.325 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.405 ' O ' ' SG ' ' A' ' 34' ' ' CYS . 13.9 mtmm -104.02 -153.66 0.48 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.57 1.169 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 57.19 15.58 2.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.983 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 6.3 p -161.88 -52.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 108.345 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt . . . . . 0 C--N 1.327 -0.4 0 O-C-N 124.577 1.173 . . . . 0.0 109.285 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 168.29 25.16 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.513 1.796 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.13 152.37 34.95 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.553 1.158 . . . . 0.0 108.265 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.4 ' HG2' ' CB ' ' A' ' 14' ' ' LYS . 42.3 mt-10 -127.47 80.84 1.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.402 ' HB3' ' HB2' ' A' ' 18' ' ' CYS . 2.3 m -60.63 -61.67 2.42 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.942 -1.026 . . . . 0.0 109.579 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.5 OUTLIER -96.06 -30.78 13.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.603 1.189 . . . . 0.0 110.036 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.4 ' CB ' ' HG2' ' A' ' 11' ' ' GLU . 3.4 mptp? -45.01 -52.7 8.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.383 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.8 p -60.68 -30.17 69.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.042 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 13' ' ' SER . . . 140.57 82.74 0.08 OUTLIER Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.537 1.148 . . . . 0.0 110.949 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 16' ' ' GLY . 0.4 OUTLIER 60.47 143.7 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.501 0.766 . . . . 0.0 110.446 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.402 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 7.1 t -74.78 122.27 23.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 108.283 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -128.24 45.91 2.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.598 1.186 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 98.9 m -87.4 31.84 0.73 Allowed 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.595 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.31 56.24 4.94 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.574 1.171 . . . . 0.0 110.967 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.76 23.92 21.99 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -163.45 87.79 0.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 0.0 109.895 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.2 t -79.49 139.63 37.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.072 . . . . 0.0 108.237 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.9 t -124.53 -36.92 2.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.109 . . . . 0.0 110.367 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -76.85 151.39 35.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 108.345 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.5 HG23 ' N ' ' A' ' 28' ' ' ASN . 0.3 OUTLIER -89.13 170.69 10.4 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.468 1.105 . . . . 0.0 110.37 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.5 ' N ' HG23 ' A' ' 27' ' ' THR . 9.8 p-10 33.4 54.73 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 14.3 t -87.51 167.57 13.84 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.629 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.1 t -176.52 34.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.112 . . . . 0.0 109.992 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 8.0 p -79.9 -49.45 11.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 108.321 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.461 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 4.3 tmtt? 171.08 140.7 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.582 1.176 . . . . 0.0 109.397 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.436 ' N ' ' HG2' ' A' ' 32' ' ' LYS . 0.4 OUTLIER 68.33 15.77 9.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.966 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.9 m -130.52 -55.67 1.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 108.255 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.946 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 174.25 13.1 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.509 1.794 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 t -75.89 150.48 37.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.121 . . . . 0.0 108.371 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -84.69 71.12 10.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.585 1.178 . . . . 0.0 110.252 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.424 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.5 OUTLIER -81.29 -36.34 29.97 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.612 179.882 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.424 ' CB ' ' O ' ' A' ' 12' ' ' CYS . 0.5 OUTLIER 164.5 -30.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 110.029 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 15' ' ' SER . 27.8 mttm 72.14 -57.61 0.61 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.394 1.058 . . . . 0.0 109.26 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 14' ' ' LYS . 24.9 t -35.29 -56.63 0.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 0.0 110.029 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 155.22 -21.31 0.56 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.477 1.111 . . . . 0.0 111.05 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.0 m -73.71 93.02 2.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.579 0.811 . . . . 0.0 110.449 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.32 138.21 31.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.445 1.091 . . . . 0.0 108.222 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -95.43 23.83 5.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.393 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.6 m -108.97 39.57 2.0 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.564 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -110.06 27.36 11.94 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.468 1.105 . . . . 0.0 111.088 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 179.59 -40.93 0.08 OUTLIER Glycine 0 CA--C 1.529 0.941 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.05 133.27 5.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.467 0.745 . . . . 0.0 110.032 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.8 t -88.05 144.43 26.52 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.511 1.132 . . . . 0.0 108.219 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.2 t -120.01 -16.72 8.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 110.418 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.93 139.92 30.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 108.283 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -87.98 -43.95 11.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.166 . . . . 0.0 110.423 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.568 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 2.2 p-10 -88.66 47.27 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 4.5 t -95.39 171.99 8.36 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.612 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.9 t -174.13 53.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 110.065 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 3.2 m -103.22 -73.31 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 108.303 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 33' ' ' SER . 0.0 OUTLIER -179.23 137.29 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.619 1.199 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 0.1 OUTLIER 79.0 8.76 1.88 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.468 1.105 . . . . 0.0 110.008 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.85 -53.8 2.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 108.29 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.373 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.88 168.39 24.95 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.439 1.757 . . . . 0.0 111.007 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.6 p -76.62 157.29 32.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.403 1.064 . . . . 0.0 108.264 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.4 ' O ' ' SG ' ' A' ' 26' ' ' CYS . 3.4 mp0 -67.66 76.37 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.426 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 1.2 m -73.17 -71.39 0.31 Allowed 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.585 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 17' ' ' THR . 32.2 t -118.31 -33.45 4.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.598 1.186 . . . . 0.0 110.033 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 13' ' ' SER . 1.2 tttp 84.41 -55.17 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 109.232 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.2 p -40.38 -47.17 2.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.007 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 155.79 -24.04 0.55 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.511 1.132 . . . . 0.0 111.038 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.508 ' O ' ' CB ' ' A' ' 13' ' ' SER . 5.8 t -125.36 117.48 23.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 0.781 . . . . 0.0 110.328 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -40.18 147.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 108.275 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.423 ' N ' ' HB2' ' A' ' 13' ' ' SER . 26.1 t-20 -152.93 59.6 0.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.355 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.7 m -79.86 9.49 5.22 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.59 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.57 -36.27 92.25 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.605 1.191 . . . . 0.0 110.969 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -104.57 70.5 0.25 Allowed Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.86 162.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.761 . . . . 0.0 109.973 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.413 ' HB2' ' CB ' ' A' ' 34' ' ' CYS . 8.1 t -107.97 142.07 38.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 108.259 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.3 p -118.61 -18.03 9.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 110.334 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.426 ' SG ' ' HA ' ' A' ' 12' ' ' CYS . 1.4 p -97.1 164.27 12.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.568 1.168 . . . . 0.0 108.317 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.479 HG23 ' N ' ' A' ' 28' ' ' ASN . 0.8 OUTLIER -109.43 -177.49 3.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.419 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.479 ' N ' HG23 ' A' ' 27' ' ' THR . 20.3 p30 39.06 31.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.619 1.2 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.442 ' N ' ' C ' ' A' ' 27' ' ' THR . 5.5 t -83.02 171.56 13.67 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.908 -1.042 . . . . 0.0 109.632 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.9 t -169.72 63.22 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.985 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.401 ' O ' ' HB3' ' A' ' 32' ' ' LYS . 95.3 m -105.28 -87.37 0.45 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 108.309 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -176.2 139.89 0.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.081 . . . . 0.0 109.386 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.46 9.12 5.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.001 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.413 ' CB ' ' HB2' ' A' ' 24' ' ' CYS . 11.1 p -130.5 -48.63 1.07 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.519 1.137 . . . . 0.0 108.299 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.4 tttm . . . . . 0 C--N 1.326 -0.433 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.973 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.411 ' HB3' ' CB ' ' A' ' 13' ' ' SER . 12.0 t70 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.444 ' O ' ' CB ' ' A' ' 10' ' ' CYS . 18.4 Cg_endo -74.94 168.45 24.82 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.531 1.806 . . . . 0.0 111.027 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 9' ' ' PRO . 0.1 OUTLIER 83.19 143.4 0.07 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 108.409 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.446 ' O ' ' CB ' ' A' ' 15' ' ' SER . 14.6 mm-40 -68.35 -11.32 59.38 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.541 1.15 . . . . 0.0 110.278 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 67.5 m -60.49 -56.94 15.31 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.597 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.411 ' CB ' ' HB3' ' A' ' 8' ' ' ASP . 4.2 m -86.87 -33.35 19.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 109.974 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -66.17 -74.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 1.3 p -44.8 -50.5 10.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.052 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.63 -58.76 0.58 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.44 1.087 . . . . 0.0 110.961 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.3 m -89.17 87.6 7.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 110.399 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -50.6 103.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 108.302 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -97.25 23.36 7.53 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.453 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -98.0 -7.74 29.33 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.549 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -47.97 101.43 0.04 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.575 1.172 . . . . 0.0 111.02 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 24' ' ' CYS . . . 108.0 -118.74 5.52 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.494 ' O ' HG23 ' A' ' 25' ' ' THR . 0.3 OUTLIER -58.33 86.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.562 0.801 . . . . 0.0 109.996 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.433 ' N ' ' O ' ' A' ' 22' ' ' GLY . 8.6 t -58.81 137.89 57.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 108.316 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.494 HG23 ' O ' ' A' ' 23' ' ' SER . 21.6 p -136.96 -42.33 0.58 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 0.0 110.406 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -49.75 165.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 108.304 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.1 m -102.3 149.43 24.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.472 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.0 m120 43.59 76.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.1 t -95.63 171.57 8.59 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.622 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.3 t -145.83 17.42 1.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.97 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.1 m -78.25 144.94 35.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.641 1.213 . . . . 0.0 108.3 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.9 pttm -94.54 -5.66 45.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.431 1.082 . . . . 0.0 109.325 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.87 14.86 22.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.13 . . . . 0.0 110.049 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.7 p -142.81 -48.07 0.33 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 108.288 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.8 mptt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.209 -179.913 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.1 t70 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 176.55 9.78 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.556 1.819 . . . . 0.0 110.973 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.75 164.39 26.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.371 1.044 . . . . 0.0 108.327 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -157.11 100.88 1.89 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.406 1.066 . . . . 0.0 110.282 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.13 -81.15 0.34 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.58 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.462 ' O ' ' C ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -120.35 17.65 12.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.394 1.059 . . . . 0.0 109.951 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 16' ' ' GLY . 9.3 mtpt -35.1 -40.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.3 t -38.04 -30.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 14' ' ' LYS . . . -168.16 74.02 0.13 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.57 1.169 . . . . 0.0 111.039 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 18' ' ' CYS . 0.6 OUTLIER 66.47 117.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 0.767 . . . . 0.0 110.375 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -40.05 157.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 108.261 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.425 ' N ' ' HB2' ' A' ' 13' ' ' SER . 1.0 OUTLIER -149.23 58.83 1.03 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.8 m -84.93 31.27 0.55 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.975 -1.012 . . . . 0.0 109.594 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -76.81 -45.45 12.57 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.537 1.148 . . . . 0.0 111.0 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.65 -69.45 1.38 Allowed Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -167.52 145.32 4.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 0.751 . . . . 0.0 109.988 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 89.6 m -64.2 126.79 28.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 0.0 108.234 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.4 t -99.39 -27.19 13.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.339 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.84 161.47 15.96 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.142 . . . . 0.0 108.257 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.08 -54.65 3.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.426 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -86.28 50.58 2.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.9 t -67.26 171.51 5.74 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.562 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 t -174.83 79.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.957 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -135.84 155.01 50.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.457 1.098 . . . . 0.0 108.346 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.3 -4.96 59.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.49 8.19 45.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 1.171 . . . . 0.0 110.005 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 6.7 p -144.78 -46.46 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 108.269 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 170.19 20.94 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.567 1.825 . . . . 0.0 110.977 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.91 140.75 40.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.438 1.086 . . . . 0.0 108.235 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -60.21 -16.15 30.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.6 m -64.42 -63.72 1.06 Allowed 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.514 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 84.1 p -76.97 -36.47 56.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.421 1.076 . . . . 0.0 109.974 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.405 ' HG2' ' N ' ' A' ' 15' ' ' SER . 20.2 ttpp -58.18 -89.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.384 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.405 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 46.7 t -43.16 -44.09 4.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 110.019 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.79 35.14 4.69 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.655 1.222 . . . . 0.0 110.951 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.0 m -154.46 108.91 3.01 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.441 0.73 . . . . 0.0 110.509 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.3 114.76 2.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 108.284 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.47 ' O ' ' ND2' ' A' ' 19' ' ' ASN . 0.2 OUTLIER -93.47 23.71 4.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.402 1.064 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.7 m -104.44 38.78 1.8 Allowed 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.672 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.65 -47.06 1.14 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.525 1.141 . . . . 0.0 110.963 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -94.8 -52.58 1.78 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.064 -0.815 . . . . 0.0 111.064 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -163.29 106.66 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 0.796 . . . . 0.0 110.014 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.7 t -57.2 141.03 47.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.406 1.066 . . . . 0.0 108.272 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.8 t -125.08 -40.19 2.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.583 1.177 . . . . 0.0 110.393 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.55 139.99 36.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.396 1.06 . . . . 0.0 108.271 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.4 t -92.25 -43.35 9.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.516 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -85.71 53.18 2.68 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.6 t -96.01 175.0 6.65 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.557 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.5 t -165.21 29.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.386 1.054 . . . . 0.0 109.975 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 2.6 m -95.09 150.42 20.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 108.355 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.5 ptpp? -82.44 -4.65 57.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.43 8.5 13.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.021 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.5 p -140.49 -49.09 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 108.309 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.226 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -47.82 -26.81 1.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 110.337 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 73.0 m -61.17 -60.84 3.12 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.64 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 77.6 p -72.79 -32.54 65.65 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.52 1.137 . . . . 0.0 110.041 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -73.74 0.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.2 t -43.52 -51.86 6.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 110.001 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 120.73 -28.81 6.05 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.1 m -121.2 102.64 8.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 0.743 . . . . 0.0 110.46 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -54.6 152.56 6.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 108.322 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -146.69 54.41 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 61.8 m -103.54 38.75 1.73 Allowed 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.566 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.63 95.43 2.08 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.427 1.079 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 126.14 -80.57 0.36 Allowed Glycine 0 CA--C 1.531 1.072 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.11 146.5 52.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.568 0.805 . . . . 0.0 109.978 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.1 t -90.54 140.01 30.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.148 . . . . 0.0 108.293 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 75.0 p -132.91 -41.75 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.438 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.2 p -53.68 167.69 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 108.316 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.5 m -110.28 162.26 14.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.581 1.175 . . . . 0.0 110.382 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 44.72 61.1 2.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.113 . . . . 0.0 109.213 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.0 t -94.45 176.05 6.44 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.631 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.5 t -170.45 45.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.42 1.075 . . . . 0.0 110.008 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 2.0 m -106.57 149.93 26.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 108.218 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.78 -5.8 59.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.388 1.055 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.02 6.13 43.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.974 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.2 p -144.28 -48.34 0.27 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 108.307 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.6 tttt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 109.366 179.973 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.4 ' SG ' ' HA ' ' A' ' 29' ' ' CYS . 22.2 p . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -111.73 81.08 1.4 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.479 1.112 . . . . 0.0 110.339 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.517 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 69.1 m -48.17 -55.5 10.22 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.578 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.4 t -127.15 0.5 6.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.434 1.084 . . . . 0.0 110.003 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 72.01 -59.22 0.56 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.0 p -38.7 -34.68 0.15 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.9 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 117.49 34.5 1.19 Allowed Glycine 0 CA--C 1.528 0.894 0 O-C-N 124.505 1.128 . . . . 0.0 111.055 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.8 m -150.48 117.47 5.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 0.729 . . . . 0.0 110.504 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.517 ' HA ' ' CB ' ' A' ' 12' ' ' CYS . 3.5 t -55.75 129.94 41.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 108.355 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -144.2 52.45 1.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 89.7 m -88.12 33.17 0.74 Allowed 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.575 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.49 -33.27 8.1 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.553 1.158 . . . . 0.0 111.058 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -95.16 -55.85 1.34 Allowed Glycine 0 CA--C 1.529 0.945 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.55 144.12 12.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 0.749 . . . . 0.0 109.982 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.6 t -87.19 142.99 27.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 108.357 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 74.2 p -120.02 -7.91 9.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.399 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.418 ' SG ' ' HA ' ' A' ' 12' ' ' CYS . 0.1 OUTLIER -99.78 140.24 34.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 108.251 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.501 HG23 ' OD1' ' A' ' 28' ' ' ASN . 11.2 t -86.07 -31.09 22.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.54 1.15 . . . . 0.0 110.431 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.501 ' OD1' HG23 ' A' ' 27' ' ' THR . 12.4 m-20 -117.62 67.63 0.75 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.391 1.057 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.4 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 5.1 t -71.43 171.61 10.95 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.674 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 t -167.98 53.29 0.06 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.493 1.121 . . . . 0.0 110.043 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.3 p -126.33 167.49 15.44 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.425 1.078 . . . . 0.0 108.312 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.82 -7.66 42.7 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.35 12.61 26.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.404 1.065 . . . . 0.0 110.039 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 35.0 t -130.45 -49.18 1.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 108.296 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.1 mttt . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.6 t . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -80.23 62.3 4.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.088 . . . . 0.0 110.253 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.1 m -60.1 -63.81 1.17 Allowed 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.56 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.47 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 47.5 p -96.92 -6.58 35.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.985 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 13' ' ' SER . 0.0 OUTLIER 85.24 -54.98 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.36 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 14' ' ' LYS . 14.5 p -38.14 -31.62 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.108 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 14' ' ' LYS . . . 117.12 32.0 1.61 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.465 1.103 . . . . 0.0 111.058 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.1 t -147.83 131.76 17.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.429 0.723 . . . . 0.0 110.381 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.0 t -55.33 139.13 43.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 108.315 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -146.19 52.95 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.092 . . . . 0.0 109.305 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 89.0 m -104.84 36.68 2.36 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.567 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -93.92 74.07 1.13 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 146.4 -67.92 0.4 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.39 144.89 33.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 0.747 . . . . 0.0 109.97 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.4 t -99.87 139.3 35.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 108.256 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.8 t -125.35 -36.48 2.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.419 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.8 p -67.08 168.24 10.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 108.337 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.546 HG22 ' H ' ' A' ' 28' ' ' ASN . 88.4 m -113.13 175.31 5.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 110.358 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.546 ' H ' HG22 ' A' ' 27' ' ' THR . 9.7 m120 41.6 46.64 3.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.402 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 3.9 t -95.36 171.98 8.38 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.601 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 t -175.15 68.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.58 1.175 . . . . 0.0 110.003 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.402 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 0.7 OUTLIER -121.11 -73.27 0.65 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 108.258 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.445 ' O ' ' CB ' ' A' ' 33' ' ' SER . 0.1 OUTLIER -178.51 137.12 0.16 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 0.0 109.282 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.445 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 0.4 OUTLIER 81.09 9.31 1.02 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.013 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.48 -56.87 2.31 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.414 1.071 . . . . 0.0 108.298 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.959 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.467 ' HA ' ' CB ' ' A' ' 14' ' ' LYS . 10.8 mt-10 -92.58 21.34 5.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.9 m -67.77 -71.2 0.22 Allowed 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.579 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.514 ' HA ' ' CA ' ' A' ' 17' ' ' THR . 34.6 p -90.18 -0.51 57.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 110.01 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.467 ' CB ' ' HA ' ' A' ' 11' ' ' GLU . 2.0 tptt -49.1 -53.42 20.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.6 t -62.06 -21.62 65.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.016 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 146.39 -23.69 1.7 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.514 ' CA ' ' HA ' ' A' ' 13' ' ' SER . 0.8 OUTLIER -178.92 138.15 0.15 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.449 0.735 . . . . 0.0 110.299 -179.851 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 17' ' ' THR . 11.2 t -41.61 129.76 3.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 108.324 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -142.5 52.4 1.43 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 1.116 . . . . 0.0 109.38 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 92.8 m -84.35 14.2 4.64 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.655 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.77 40.9 2.32 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.495 1.122 . . . . 0.0 110.937 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -162.42 -50.23 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -176.37 94.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 0.0 110.011 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.422 ' HB2' ' CB ' ' A' ' 34' ' ' CYS . 10.5 t -43.49 147.11 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 108.268 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 74.7 p -121.69 -31.75 3.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.405 1.066 . . . . 0.0 110.438 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.412 ' CB ' ' HB2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -76.49 140.78 41.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.135 . . . . 0.0 108.343 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.26 -57.98 3.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.596 1.185 . . . . 0.0 110.439 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -84.28 56.08 3.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 9.0 t -95.18 170.86 9.1 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.636 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.6 t -165.43 49.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 110.04 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -89.62 -91.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 108.321 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -178.99 139.59 0.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.22 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.4 t 73.45 6.91 5.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.585 1.178 . . . . 0.0 110.075 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.422 ' CB ' ' HB2' ' A' ' 24' ' ' CYS . 5.9 p -124.84 -49.03 1.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 108.223 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.925 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.54 61.86 0.24 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.252 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.75 -72.47 0.21 Allowed 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.585 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 16' ' ' GLY . 96.5 p -114.92 15.73 17.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.913 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.23 -59.63 2.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.39 -23.51 6.13 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 110.026 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 13' ' ' SER . . . 117.56 28.58 2.28 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 179.4 126.38 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 0.736 . . . . 0.0 110.425 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -48.24 133.63 15.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 108.308 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -91.32 16.34 10.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 0.0 109.278 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.8 m -102.43 39.44 1.51 Allowed 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.089 -0.96 . . . . 0.0 109.603 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -118.18 59.22 0.5 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.569 1.168 . . . . 0.0 111.084 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 140.95 -53.42 0.66 Allowed Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -158.92 97.69 1.43 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.54 0.788 . . . . 0.0 109.978 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.471 ' CB ' ' HB3' ' A' ' 34' ' ' CYS . 20.0 t -41.96 148.49 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 108.213 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.6 t -120.23 -10.18 9.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.424 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -101.98 158.49 16.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 108.321 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.501 HG22 ' H ' ' A' ' 28' ' ' ASN . 74.9 m -104.06 173.64 6.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 110.34 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.501 ' H ' HG22 ' A' ' 27' ' ' THR . 77.1 m-20 44.87 34.36 1.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 7.6 t -90.58 170.47 10.15 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.643 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -157.78 34.51 0.26 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.434 1.084 . . . . 0.0 110.01 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -78.1 -90.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 108.291 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -163.11 141.99 8.45 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.503 1.127 . . . . 0.0 109.354 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.1 m 74.3 6.15 4.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.593 1.183 . . . . 0.0 109.987 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.471 ' HB3' ' CB ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -119.35 -49.42 2.37 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.551 1.157 . . . . 0.0 108.372 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.7 tttt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.8 t . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -116.96 -8.83 11.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.0 m -59.66 -61.02 2.93 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.598 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.4 t -81.99 -32.92 30.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.43 1.081 . . . . 0.0 109.952 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -73.43 -91.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 1.172 . . . . 0.0 109.2 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 t -39.98 -49.79 2.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.991 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.64 30.71 6.05 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.409 1.068 . . . . 0.0 110.924 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.702 ' O ' HG22 ' A' ' 17' ' ' THR . 0.9 OUTLIER -143.26 81.09 1.7 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.525 0.779 . . . . 0.0 110.381 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.3 t -54.04 137.38 39.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.412 1.07 . . . . 0.0 108.284 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -139.95 47.61 1.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 64.5 m -107.53 42.6 1.3 Allowed 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.601 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -99.98 50.53 1.1 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.459 1.099 . . . . 0.0 110.905 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.07 -54.8 0.38 Allowed Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.49 147.87 32.64 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.407 0.71 . . . . 0.0 109.961 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.8 t -103.87 141.64 35.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 108.286 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.0 p -119.22 -19.71 8.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.481 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -92.74 157.61 16.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 108.324 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -106.58 -39.74 5.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.405 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -84.15 58.86 4.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.424 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -93.87 -176.87 4.17 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.664 179.854 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.48 ' O ' ' C ' ' A' ' 31' ' ' CYS . 1.5 t -176.69 -27.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.008 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.48 ' C ' ' O ' ' A' ' 30' ' ' SER . 1.6 p -35.9 134.54 0.37 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 108.354 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -68.44 -12.65 61.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 0.0 109.246 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.55 11.74 12.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.993 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.4 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 4.2 t -108.69 -63.43 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 108.277 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.9 mtpt . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.239 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.0 t . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -45.72 -26.16 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 110.291 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 69.6 m -56.31 -57.65 11.34 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.673 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.2 t -82.19 -30.12 31.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.441 1.088 . . . . 0.0 109.953 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -59.84 4.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.7 t -51.94 -45.1 64.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.922 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 131.46 -33.69 2.72 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.531 1.144 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 m -135.75 113.1 10.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 0.788 . . . . 0.0 110.406 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -47.39 100.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 108.289 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -94.58 21.69 7.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.568 1.168 . . . . 0.0 109.234 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.471 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -110.02 -7.25 14.96 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.608 179.785 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -42.33 -45.98 5.39 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.558 1.161 . . . . 0.0 110.985 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -92.99 -77.91 1.39 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.22 109.53 21.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.757 . . . . 0.0 110.085 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 47.7 t -86.86 161.77 18.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 108.311 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.8 t -161.47 -41.68 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.56 1.162 . . . . 0.0 110.36 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -48.65 135.71 14.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 108.308 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.88 -48.69 11.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.377 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -84.27 56.85 3.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.4 t -95.71 173.17 7.61 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.615 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.8 t -175.04 34.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.941 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.455 ' O ' ' CB ' ' A' ' 32' ' ' LYS . 1.7 m -68.95 -98.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 108.344 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 31' ' ' CYS . 5.0 mtmt 166.33 -30.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.98 14.87 5.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.989 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.5 p -133.9 -51.62 0.84 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.398 1.061 . . . . 0.0 108.26 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.4 mttt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.42 1.075 . . . . 0.0 109.218 -179.928 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.3 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -120.56 82.95 1.98 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.255 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -91.05 -75.74 0.46 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.626 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.54 ' O ' ' C ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -120.05 20.14 12.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 110.027 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.54 ' C ' ' O ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -29.03 -43.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 13' ' ' SER . 0.1 OUTLIER -36.37 -31.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.911 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 17' ' ' THR . . . -158.31 45.33 0.47 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.498 ' CB ' ' O ' ' A' ' 16' ' ' GLY . 0.5 OUTLIER 82.96 137.47 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 0.746 . . . . 0.0 110.437 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' THR . 0.5 OUTLIER -41.08 154.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 108.328 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -147.19 57.01 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.578 1.174 . . . . 0.0 109.299 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.447 ' CB ' ' HB3' ' A' ' 34' ' ' CYS . 2.2 m -87.12 31.78 0.71 Allowed 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.946 -1.024 . . . . 0.0 109.572 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -37.31 -81.96 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.569 1.168 . . . . 0.0 111.056 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.47 -139.98 0.06 OUTLIER Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.89 148.69 31.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.764 . . . . 0.0 110.047 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 93.1 m -59.68 131.37 50.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 108.265 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.5 t -112.79 -28.49 7.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.401 1.063 . . . . 0.0 110.413 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -74.46 169.66 17.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 108.255 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.6 m -103.03 140.13 37.69 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.47 1.106 . . . . 0.0 110.393 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 56.07 73.6 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.356 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.436 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 3.8 t -95.31 170.89 9.06 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.615 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.7 t -176.05 63.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.972 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.436 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -118.97 145.81 45.5 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.453 1.096 . . . . 0.0 108.336 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.87 -13.78 52.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.414 1.071 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.47 14.86 19.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.12 . . . . 0.0 110.018 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.447 ' HB3' ' CB ' ' A' ' 20' ' ' CYS . 19.8 p -144.24 -48.69 0.27 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 108.273 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 12' ' ' CYS . 3.8 p . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 15' ' ' SER . 2.1 mp0 -36.88 -31.9 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.501 1.126 . . . . 0.0 110.332 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 10' ' ' CYS . 56.4 m -50.37 -51.88 42.07 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.61 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.7 t -101.46 15.23 29.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.085 . . . . 0.0 109.995 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.2 -70.77 0.77 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 11' ' ' GLU . 0.6 OUTLIER -42.94 -48.93 5.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.495 ' O ' HG22 ' A' ' 17' ' ' THR . . . 134.29 103.55 0.79 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.546 1.154 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.495 HG22 ' O ' ' A' ' 16' ' ' GLY . 0.5 OUTLIER 73.54 148.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 110.424 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -105.45 150.32 25.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 108.364 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -146.66 54.6 1.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.233 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 69.6 m -95.88 33.38 1.69 Allowed 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.528 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.9 60.23 3.51 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 155.14 -65.77 0.32 Allowed Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.55 163.47 30.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 0.773 . . . . 0.0 110.027 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.0 t -98.92 142.99 29.73 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.483 1.114 . . . . 0.0 108.258 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.3 p -120.8 -33.81 3.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.369 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -82.26 -176.02 5.97 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.564 1.165 . . . . 0.0 108.323 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.435 ' N ' ' SG ' ' A' ' 26' ' ' CYS . 1.3 t -117.17 164.2 15.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.37 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 27' ' ' THR . 33.5 m-20 39.58 62.6 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.438 1.086 . . . . 0.0 109.344 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.439 ' O ' ' CD ' ' A' ' 35' ' ' LYS . 2.6 t -94.92 175.82 6.5 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.584 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.7 t -174.4 33.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.616 1.198 . . . . 0.0 110.026 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.542 ' O ' ' CB ' ' A' ' 32' ' ' LYS . 16.8 m -75.64 -76.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 108.326 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.542 ' CB ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER 160.45 146.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.409 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.51 7.29 6.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.968 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.7 p -127.99 -45.81 1.41 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.528 1.143 . . . . 0.0 108.284 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.439 ' CD ' ' O ' ' A' ' 29' ' ' CYS . 5.2 tttt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.6 t . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -89.97 81.42 6.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.081 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.401 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 58.5 m -74.7 -72.0 0.31 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.593 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.3 t -115.12 -37.52 4.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.976 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.5 ' O ' ' C ' ' A' ' 15' ' ' SER . 2.9 tttm 79.77 -48.73 0.37 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.558 1.161 . . . . 0.0 109.378 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.5 ' C ' ' O ' ' A' ' 14' ' ' LYS . 1.7 t -31.39 -43.33 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.996 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.46 ' O ' HG22 ' A' ' 17' ' ' THR . . . 164.51 99.53 0.14 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.458 1.099 . . . . 0.0 110.947 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.46 HG22 ' O ' ' A' ' 16' ' ' GLY . 0.5 OUTLIER 77.75 149.53 0.1 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.525 0.78 . . . . 0.0 110.383 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -52.23 161.37 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.393 1.058 . . . . 0.0 108.331 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.438 ' N ' ' SG ' ' A' ' 18' ' ' CYS . 4.7 t-20 -154.47 59.03 0.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 61.2 m -94.3 32.15 1.59 Allowed 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.636 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.45 -67.75 1.51 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.49 -74.89 0.24 Allowed Glycine 0 CA--C 1.531 1.088 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -158.19 126.82 5.5 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.56 0.8 . . . . 0.0 110.052 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.9 t -62.42 136.85 58.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 108.332 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.4 t -126.52 -40.22 1.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 110.407 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.401 ' SG ' ' HA ' ' A' ' 12' ' ' CYS . 1.2 p -52.71 171.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.637 1.211 . . . . 0.0 108.328 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.401 HG23 HD22 ' A' ' 28' ' ' ASN . 6.3 t -117.75 150.0 39.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.481 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.401 HD22 HG23 ' A' ' 27' ' ' THR . 21.1 m-80 57.74 53.71 6.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.385 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 5.0 t -95.63 171.13 8.86 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.492 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.7 t -172.73 60.45 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 110.007 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 97.8 m -94.43 -94.88 0.17 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 108.347 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -176.35 -37.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 m -73.12 -0.02 12.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.029 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.6 p -128.54 -47.52 1.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 108.312 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.419 1.074 . . . . 0.0 109.294 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 p . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -88.71 49.42 1.78 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.527 1.142 . . . . 0.0 110.256 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -87.47 -51.87 5.68 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.631 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.83 -33.2 8.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 109.988 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.87 -63.26 1.21 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.251 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.8 t -42.8 -53.67 4.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.044 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 141.29 -46.19 0.92 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.458 1.098 . . . . 0.0 111.013 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.7 m -123.01 101.08 7.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 110.424 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -45.95 111.34 0.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 108.343 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -99.72 27.19 5.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.604 1.19 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.47 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -106.47 -7.11 17.71 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.587 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -38.29 -46.67 1.98 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.459 1.099 . . . . 0.0 111.021 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -102.54 -89.16 2.08 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.11 109.15 5.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.356 0.68 . . . . 0.0 109.915 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 39.9 t -105.55 141.38 37.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 1.076 . . . . 0.0 108.274 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.2 p -135.84 -41.21 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.4 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -49.01 150.95 1.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 108.279 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -100.45 -43.1 6.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.356 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -84.83 58.25 4.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 t -93.13 177.72 5.97 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.571 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.8 t -165.48 31.16 0.06 Allowed 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.465 1.103 . . . . 0.0 109.947 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 73.7 m -96.16 142.89 27.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 108.393 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.31 -41.6 14.43 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.8 -12.23 16.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.078 . . . . 0.0 110.033 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -106.35 -18.77 13.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.584 1.177 . . . . 0.0 108.318 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.338 179.955 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.8 t . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.431 ' HA ' ' CB ' ' A' ' 14' ' ' LYS . 1.1 mp0 -54.44 -19.61 6.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.284 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.408 ' SG ' ' HB3' ' A' ' 20' ' ' CYS . 18.7 m -49.69 -50.37 43.96 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.556 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.0 t -83.08 -22.74 33.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.085 . . . . 0.0 109.937 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.431 ' CB ' ' HA ' ' A' ' 11' ' ' GLU . 0.6 OUTLIER -50.76 -59.72 3.8 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.498 1.124 . . . . 0.0 109.369 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 61.7 p -60.06 -34.95 74.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 110.009 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.03 -26.22 6.84 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.523 1.139 . . . . 0.0 111.069 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.8 m -133.26 120.9 21.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 0.737 . . . . 0.0 110.356 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.412 ' O ' ' SG ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -63.45 91.21 0.05 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.515 1.134 . . . . 0.0 108.285 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 19' ' ' ASN . 14.2 t-20 -93.13 22.68 4.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.487 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -92.24 -3.41 55.54 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.649 179.867 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.1 84.83 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.446 1.091 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 20' ' ' CYS . . . 143.71 -106.93 0.44 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.25 94.18 4.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.469 0.746 . . . . 0.0 110.055 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.459 ' CB ' ' HB2' ' A' ' 20' ' ' CYS . 11.7 p -101.32 162.58 12.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 108.347 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.5 p -115.65 -21.4 9.7 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.421 1.076 . . . . 0.0 110.396 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -49.8 144.18 6.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 108.268 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.81 -43.68 7.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.621 1.201 . . . . 0.0 110.377 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -84.5 57.88 4.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.225 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 t -95.08 174.31 7.14 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.635 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.8 t -164.25 37.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.97 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -118.87 -150.44 0.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 108.28 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.427 ' C ' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -124.16 -158.8 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.221 -179.898 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 47.84 22.05 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.427 ' N ' ' C ' ' A' ' 32' ' ' LYS . 27.7 p -157.17 -47.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 0.0 108.286 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.2 tttp . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.337 179.908 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 53.5 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -94.79 59.43 2.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 0.0 110.315 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 90.4 m -62.8 -69.25 0.27 Allowed 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.586 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.401 ' HG ' ' C ' ' A' ' 17' ' ' THR . 8.1 p -117.41 -12.29 10.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.414 1.071 . . . . 0.0 109.98 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 15' ' ' SER . 0.3 OUTLIER 71.39 -58.47 0.58 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.625 1.203 . . . . 0.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 14' ' ' LYS . 43.4 t -36.51 -56.91 0.79 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.535 1.147 . . . . 0.0 110.027 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 162.61 -47.67 0.33 Allowed Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.435 1.084 . . . . 0.0 111.011 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.401 ' C ' ' HG ' ' A' ' 13' ' ' SER . 1.9 m -82.4 94.88 7.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 0.791 . . . . 0.0 110.448 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.419 ' O ' ' SG ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -47.68 108.46 0.16 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.566 1.166 . . . . 0.0 108.248 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -96.03 24.9 5.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.401 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.526 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -89.43 -3.22 58.5 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.566 179.872 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 20' ' ' CYS . . . -33.4 -48.68 0.47 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.563 1.164 . . . . 0.0 111.018 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 20' ' ' CYS . . . -93.05 -145.92 18.2 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.24 94.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 110.038 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.434 ' CB ' ' HB2' ' A' ' 20' ' ' CYS . 27.7 p -80.99 155.09 26.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 108.279 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.4 t -128.68 17.07 6.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.578 1.174 . . . . 0.0 110.405 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.5 p -87.57 166.08 14.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 108.25 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 98.6 m -103.2 154.32 19.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.369 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 46.49 70.23 0.41 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.356 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.3 t -95.72 172.37 8.08 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.523 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.96 58.03 0.1 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.507 1.129 . . . . 0.0 109.946 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 70.7 m -123.39 136.83 54.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 108.309 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.86 -5.2 44.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.84 10.65 25.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.035 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 17.3 p -148.52 -47.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 108.214 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.23 -179.88 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.443 ' SG ' ' HA ' ' A' ' 29' ' ' CYS . 3.6 t . . . . . 0 CA--C 1.532 0.261 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.5 44.19 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 110.277 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.438 ' HB3' ' HA ' ' A' ' 18' ' ' CYS . 6.4 m -69.58 -77.05 0.09 Allowed 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.043 -0.981 . . . . 0.0 109.602 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 17' ' ' THR . 5.0 p -122.34 -27.33 4.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.003 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 15' ' ' SER . 0.7 OUTLIER 79.37 -55.67 0.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 14' ' ' LYS . 40.5 t -39.36 -53.85 1.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.172 . . . . 0.0 110.023 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 162.23 -27.75 0.26 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.387 1.055 . . . . 0.0 110.968 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.466 ' O ' ' CB ' ' A' ' 13' ' ' SER . 10.6 t -115.97 113.86 23.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 110.408 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.438 ' HA ' ' HB3' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -40.35 145.71 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 108.303 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -142.4 53.31 1.43 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.402 1.064 . . . . 0.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.1 m -85.63 31.37 0.6 Allowed 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.584 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.05 -49.93 3.18 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.542 1.151 . . . . 0.0 110.96 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.58 -61.05 5.63 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.56 137.85 4.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.403 0.707 . . . . 0.0 109.967 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.0 t -79.76 142.43 35.4 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.355 1.034 . . . . 0.0 108.359 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.4 p -124.74 -40.8 2.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.593 1.183 . . . . 0.0 110.347 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -49.69 132.47 21.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.555 1.16 . . . . 0.0 108.3 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.411 HG23 ' ND2' ' A' ' 28' ' ' ASN . 12.9 t -74.29 -35.52 63.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.429 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.411 ' ND2' HG23 ' A' ' 27' ' ' THR . 69.7 m-80 -124.28 75.84 1.42 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.443 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 5.2 t -70.86 164.65 24.87 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.553 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 p -130.75 1.75 4.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.081 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.1 p -107.76 175.93 5.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 108.325 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.9 mtmm -104.02 -153.66 0.48 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.57 1.169 . . . . 0.0 109.307 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 57.19 15.58 2.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.983 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 6.3 p -161.88 -52.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 108.345 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt . . . . . 0 C--N 1.327 -0.4 0 O-C-N 124.577 1.173 . . . . 0.0 109.285 179.982 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.4 ' HG2' ' CB ' ' A' ' 14' ' ' LYS . 42.3 mt-10 -127.47 80.84 1.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.402 ' HB3' ' HB2' ' A' ' 18' ' ' CYS . 2.3 m -60.63 -61.67 2.42 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.942 -1.026 . . . . 0.0 109.579 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.5 OUTLIER -96.06 -30.78 13.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.603 1.189 . . . . 0.0 110.036 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.4 ' CB ' ' HG2' ' A' ' 11' ' ' GLU . 3.4 mptp? -45.01 -52.7 8.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.383 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.8 p -60.68 -30.17 69.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.042 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 13' ' ' SER . . . 140.57 82.74 0.08 OUTLIER Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.537 1.148 . . . . 0.0 110.949 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 16' ' ' GLY . 0.4 OUTLIER 60.47 143.7 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.501 0.766 . . . . 0.0 110.446 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.402 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 7.1 t -74.78 122.27 23.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 108.283 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -128.24 45.91 2.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.598 1.186 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 98.9 m -87.4 31.84 0.73 Allowed 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.595 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.31 56.24 4.94 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.574 1.171 . . . . 0.0 110.967 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.76 23.92 21.99 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -163.45 87.79 0.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 0.0 109.895 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.2 t -79.49 139.63 37.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.072 . . . . 0.0 108.237 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.9 t -124.53 -36.92 2.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.109 . . . . 0.0 110.367 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -76.85 151.39 35.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 108.345 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.5 HG23 ' N ' ' A' ' 28' ' ' ASN . 0.3 OUTLIER -89.13 170.69 10.4 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.468 1.105 . . . . 0.0 110.37 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.5 ' N ' HG23 ' A' ' 27' ' ' THR . 9.8 p-10 33.4 54.73 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 14.3 t -87.51 167.57 13.84 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.629 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.1 t -176.52 34.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.112 . . . . 0.0 109.992 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 8.0 p -79.9 -49.45 11.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 108.321 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.461 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 4.3 tmtt? 171.08 140.7 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.582 1.176 . . . . 0.0 109.397 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.436 ' N ' ' HG2' ' A' ' 32' ' ' LYS . 0.4 OUTLIER 68.33 15.77 9.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.966 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.9 m -130.52 -55.67 1.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 108.255 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.946 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -84.69 71.12 10.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.585 1.178 . . . . 0.0 110.252 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.424 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.5 OUTLIER -81.29 -36.34 29.97 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.612 179.882 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.424 ' CB ' ' O ' ' A' ' 12' ' ' CYS . 0.5 OUTLIER 164.5 -30.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 110.029 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 15' ' ' SER . 27.8 mttm 72.14 -57.61 0.61 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.394 1.058 . . . . 0.0 109.26 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 14' ' ' LYS . 24.9 t -35.29 -56.63 0.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 0.0 110.029 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 155.22 -21.31 0.56 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.477 1.111 . . . . 0.0 111.05 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.0 m -73.71 93.02 2.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.579 0.811 . . . . 0.0 110.449 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.32 138.21 31.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.445 1.091 . . . . 0.0 108.222 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -95.43 23.83 5.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.393 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.6 m -108.97 39.57 2.0 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.564 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -110.06 27.36 11.94 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.468 1.105 . . . . 0.0 111.088 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 179.59 -40.93 0.08 OUTLIER Glycine 0 CA--C 1.529 0.941 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.05 133.27 5.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.467 0.745 . . . . 0.0 110.032 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.8 t -88.05 144.43 26.52 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.511 1.132 . . . . 0.0 108.219 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.2 t -120.01 -16.72 8.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 110.418 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.93 139.92 30.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 108.283 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -87.98 -43.95 11.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.166 . . . . 0.0 110.423 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.422 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 11.4 p30 -88.66 47.27 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.5 t -95.39 171.99 8.36 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.612 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.9 t -174.13 53.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 110.065 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.2 m -103.22 -73.31 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 108.303 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 33' ' ' SER . 0.0 OUTLIER -179.23 137.29 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.619 1.199 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 0.1 OUTLIER 79.0 8.76 1.88 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.468 1.105 . . . . 0.0 110.008 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.85 -53.8 2.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 108.29 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.373 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.6 p . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.4 ' O ' ' SG ' ' A' ' 26' ' ' CYS . 3.4 mp0 -67.66 76.37 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.426 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 1.2 m -73.17 -71.39 0.31 Allowed 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.585 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 17' ' ' THR . 32.2 t -118.31 -33.45 4.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.598 1.186 . . . . 0.0 110.033 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 13' ' ' SER . 1.2 tttp 84.41 -55.17 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 109.232 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.2 p -40.38 -47.17 2.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.007 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 155.79 -24.04 0.55 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.511 1.132 . . . . 0.0 111.038 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.508 ' O ' ' CB ' ' A' ' 13' ' ' SER . 5.8 t -125.36 117.48 23.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 0.781 . . . . 0.0 110.328 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -40.18 147.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 108.275 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.423 ' N ' ' HB2' ' A' ' 13' ' ' SER . 26.1 t-20 -152.93 59.6 0.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.355 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.7 m -79.86 9.49 5.22 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.59 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.57 -36.27 92.25 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.605 1.191 . . . . 0.0 110.969 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -104.57 70.5 0.25 Allowed Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.86 162.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.761 . . . . 0.0 109.973 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.413 ' HB2' ' CB ' ' A' ' 34' ' ' CYS . 8.1 t -107.97 142.07 38.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 108.259 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.3 p -118.61 -18.03 9.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 110.334 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.426 ' SG ' ' HA ' ' A' ' 12' ' ' CYS . 1.4 p -97.1 164.27 12.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.568 1.168 . . . . 0.0 108.317 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.479 HG23 ' N ' ' A' ' 28' ' ' ASN . 0.8 OUTLIER -109.43 -177.49 3.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.419 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.479 ' N ' HG23 ' A' ' 27' ' ' THR . 20.3 p30 39.06 31.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.619 1.2 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.442 ' N ' ' C ' ' A' ' 27' ' ' THR . 5.5 t -83.02 171.56 13.67 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.908 -1.042 . . . . 0.0 109.632 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.9 t -169.72 63.22 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.985 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.401 ' O ' ' HB3' ' A' ' 32' ' ' LYS . 95.3 m -105.28 -87.37 0.45 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 108.309 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -176.2 139.89 0.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.081 . . . . 0.0 109.386 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.46 9.12 5.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.001 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.413 ' CB ' ' HB2' ' A' ' 24' ' ' CYS . 11.1 p -130.5 -48.63 1.07 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.519 1.137 . . . . 0.0 108.299 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.4 tttm . . . . . 0 C--N 1.326 -0.433 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.973 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.446 ' O ' ' CB ' ' A' ' 15' ' ' SER . 14.6 mm-40 -68.35 -11.32 59.38 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.541 1.15 . . . . 0.0 110.278 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 67.5 m -60.49 -56.94 15.31 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.597 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.2 m -86.87 -33.35 19.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 109.974 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -66.17 -74.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 1.3 p -44.8 -50.5 10.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.052 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.63 -58.76 0.58 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.44 1.087 . . . . 0.0 110.961 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.3 m -89.17 87.6 7.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 110.399 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -50.6 103.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 108.302 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -97.25 23.36 7.53 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.453 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -98.0 -7.74 29.33 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.549 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -47.97 101.43 0.04 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.575 1.172 . . . . 0.0 111.02 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 24' ' ' CYS . . . 108.0 -118.74 5.52 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.494 ' O ' HG23 ' A' ' 25' ' ' THR . 0.3 OUTLIER -58.33 86.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.562 0.801 . . . . 0.0 109.996 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.433 ' N ' ' O ' ' A' ' 22' ' ' GLY . 8.6 t -58.81 137.89 57.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 108.316 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.494 HG23 ' O ' ' A' ' 23' ' ' SER . 21.6 p -136.96 -42.33 0.58 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 0.0 110.406 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -49.75 165.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 108.304 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.1 m -102.3 149.43 24.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.472 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 43.59 76.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.1 t -95.63 171.57 8.59 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.622 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.3 t -145.83 17.42 1.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.97 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.1 m -78.25 144.94 35.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.641 1.213 . . . . 0.0 108.3 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.9 pttm -94.54 -5.66 45.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.431 1.082 . . . . 0.0 109.325 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.87 14.86 22.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.13 . . . . 0.0 110.049 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.7 p -142.81 -48.07 0.33 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 108.288 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.8 mptt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.209 -179.913 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -157.11 100.88 1.89 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.406 1.066 . . . . 0.0 110.282 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.13 -81.15 0.34 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.58 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.462 ' O ' ' C ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -120.35 17.65 12.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.394 1.059 . . . . 0.0 109.951 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 16' ' ' GLY . 9.3 mtpt -35.1 -40.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.3 t -38.04 -30.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 14' ' ' LYS . . . -168.16 74.02 0.13 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.57 1.169 . . . . 0.0 111.039 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 18' ' ' CYS . 0.6 OUTLIER 66.47 117.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 0.767 . . . . 0.0 110.375 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -40.05 157.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 108.261 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.425 ' N ' ' HB2' ' A' ' 13' ' ' SER . 11.4 t-20 -149.23 58.83 1.03 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.8 m -84.93 31.27 0.55 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.975 -1.012 . . . . 0.0 109.594 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -76.81 -45.45 12.57 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.537 1.148 . . . . 0.0 111.0 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.65 -69.45 1.38 Allowed Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -167.52 145.32 4.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 0.751 . . . . 0.0 109.988 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 89.6 m -64.2 126.79 28.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 0.0 108.234 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.4 t -99.39 -27.19 13.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.339 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.84 161.47 15.96 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.142 . . . . 0.0 108.257 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.08 -54.65 3.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.426 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -86.28 50.58 2.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.428 ' HG ' ' HG ' ' A' ' 31' ' ' CYS . 4.9 t -67.26 171.51 5.74 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.562 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 t -174.83 79.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.957 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.428 ' HG ' ' HG ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -135.84 155.01 50.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.457 1.098 . . . . 0.0 108.346 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.3 -4.96 59.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.49 8.19 45.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 1.171 . . . . 0.0 110.005 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 6.7 p -144.78 -46.46 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 108.269 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -60.21 -16.15 30.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.6 m -64.42 -63.72 1.06 Allowed 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.514 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 84.1 p -76.97 -36.47 56.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.421 1.076 . . . . 0.0 109.974 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.405 ' HG2' ' N ' ' A' ' 15' ' ' SER . 20.2 ttpp -58.18 -89.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.384 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.405 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 46.7 t -43.16 -44.09 4.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 110.019 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.79 35.14 4.69 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.655 1.222 . . . . 0.0 110.951 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.0 m -154.46 108.91 3.01 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.441 0.73 . . . . 0.0 110.509 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.3 114.76 2.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 108.284 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -93.47 23.71 4.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.402 1.064 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.7 m -104.44 38.78 1.8 Allowed 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.672 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.65 -47.06 1.14 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.525 1.141 . . . . 0.0 110.963 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -94.8 -52.58 1.78 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.064 -0.815 . . . . 0.0 111.064 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -163.29 106.66 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 0.796 . . . . 0.0 110.014 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.7 t -57.2 141.03 47.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.406 1.066 . . . . 0.0 108.272 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.8 t -125.08 -40.19 2.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.583 1.177 . . . . 0.0 110.393 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.55 139.99 36.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.396 1.06 . . . . 0.0 108.271 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.4 t -92.25 -43.35 9.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.516 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -85.71 53.18 2.68 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.6 t -96.01 175.0 6.65 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.557 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.5 t -165.21 29.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.386 1.054 . . . . 0.0 109.975 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 2.6 m -95.09 150.42 20.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 108.355 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.5 ptpp? -82.44 -4.65 57.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.43 8.5 13.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.021 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.5 p -140.49 -49.09 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 108.309 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.226 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 168.13 25.51 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.477 1.777 . . . . 0.0 111.045 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 27' ' ' THR . 3.5 t -76.49 146.7 38.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 108.282 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -47.82 -26.81 1.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 110.337 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 73.0 m -61.17 -60.84 3.12 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.64 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 77.6 p -72.79 -32.54 65.65 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.52 1.137 . . . . 0.0 110.041 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -73.74 0.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.2 t -43.52 -51.86 6.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 110.001 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 120.73 -28.81 6.05 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.1 m -121.2 102.64 8.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 0.743 . . . . 0.0 110.46 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -54.6 152.56 6.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 108.322 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -146.69 54.41 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 61.8 m -103.54 38.75 1.73 Allowed 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.566 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.63 95.43 2.08 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.427 1.079 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 126.14 -80.57 0.36 Allowed Glycine 0 CA--C 1.531 1.072 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.11 146.5 52.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.568 0.805 . . . . 0.0 109.978 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.1 t -90.54 140.01 30.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.148 . . . . 0.0 108.293 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 75.0 p -132.91 -41.75 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.438 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.2 p -53.68 167.69 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 108.316 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.404 ' O ' ' SG ' ' A' ' 10' ' ' CYS . 22.5 m -110.28 162.26 14.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.581 1.175 . . . . 0.0 110.382 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 44.72 61.1 2.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.113 . . . . 0.0 109.213 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.0 t -94.45 176.05 6.44 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.631 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.5 t -170.45 45.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.42 1.075 . . . . 0.0 110.008 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 2.0 m -106.57 149.93 26.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 108.218 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.78 -5.8 59.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.388 1.055 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.02 6.13 43.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.974 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.2 p -144.28 -48.34 0.27 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 108.307 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.6 tttt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 109.366 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 t0 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 166.47 29.18 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.421 1.748 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.4 ' SG ' ' HA ' ' A' ' 29' ' ' CYS . 22.2 p -118.95 155.06 32.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 108.268 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -111.73 81.08 1.4 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.479 1.112 . . . . 0.0 110.339 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.517 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 69.1 m -48.17 -55.5 10.22 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.578 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.4 t -127.15 0.5 6.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.434 1.084 . . . . 0.0 110.003 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 72.01 -59.22 0.56 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.0 p -38.7 -34.68 0.15 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.9 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 117.49 34.5 1.19 Allowed Glycine 0 CA--C 1.528 0.894 0 O-C-N 124.505 1.128 . . . . 0.0 111.055 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.8 m -150.48 117.47 5.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 0.729 . . . . 0.0 110.504 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.517 ' HA ' ' CB ' ' A' ' 12' ' ' CYS . 3.5 t -55.75 129.94 41.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 108.355 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -144.2 52.45 1.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 89.7 m -88.12 33.17 0.74 Allowed 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.575 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.49 -33.27 8.1 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.553 1.158 . . . . 0.0 111.058 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -95.16 -55.85 1.34 Allowed Glycine 0 CA--C 1.529 0.945 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.55 144.12 12.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 0.749 . . . . 0.0 109.982 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.6 t -87.19 142.99 27.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 108.357 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 74.2 p -120.02 -7.91 9.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.399 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.418 ' SG ' ' HA ' ' A' ' 12' ' ' CYS . 0.1 OUTLIER -99.78 140.24 34.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 108.251 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.501 HG23 ' OD1' ' A' ' 28' ' ' ASN . 11.2 t -86.07 -31.09 22.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.54 1.15 . . . . 0.0 110.431 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.501 ' OD1' HG23 ' A' ' 27' ' ' THR . 12.4 m-20 -117.62 67.63 0.75 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.391 1.057 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.4 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 5.1 t -71.43 171.61 10.95 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.674 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 t -167.98 53.29 0.06 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.493 1.121 . . . . 0.0 110.043 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.3 p -126.33 167.49 15.44 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.425 1.078 . . . . 0.0 108.312 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.82 -7.66 42.7 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.35 12.61 26.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.404 1.065 . . . . 0.0 110.039 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 35.0 t -130.45 -49.18 1.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 108.296 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.1 mttt . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 167.18 27.65 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 111.036 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.6 t -77.44 149.06 35.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 108.326 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -80.23 62.3 4.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.088 . . . . 0.0 110.253 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.1 m -60.1 -63.81 1.17 Allowed 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.56 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.47 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 47.5 p -96.92 -6.58 35.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.985 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 13' ' ' SER . 0.0 OUTLIER 85.24 -54.98 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.36 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 14' ' ' LYS . 14.5 p -38.14 -31.62 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.108 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 14' ' ' LYS . . . 117.12 32.0 1.61 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.465 1.103 . . . . 0.0 111.058 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.1 t -147.83 131.76 17.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.429 0.723 . . . . 0.0 110.381 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.0 t -55.33 139.13 43.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 108.315 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -146.19 52.95 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.092 . . . . 0.0 109.305 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 89.0 m -104.84 36.68 2.36 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.567 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -93.92 74.07 1.13 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 146.4 -67.92 0.4 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.39 144.89 33.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 0.747 . . . . 0.0 109.97 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.4 t -99.87 139.3 35.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 108.256 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.8 t -125.35 -36.48 2.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.419 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.8 p -67.08 168.24 10.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 108.337 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.546 HG22 ' H ' ' A' ' 28' ' ' ASN . 88.4 m -113.13 175.31 5.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 110.358 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.546 ' H ' HG22 ' A' ' 27' ' ' THR . 9.7 m120 41.6 46.64 3.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.402 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 3.9 t -95.36 171.98 8.38 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.601 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 t -175.15 68.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.58 1.175 . . . . 0.0 110.003 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.402 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 0.7 OUTLIER -121.11 -73.27 0.65 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 108.258 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.445 ' O ' ' CB ' ' A' ' 33' ' ' SER . 0.1 OUTLIER -178.51 137.12 0.16 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 0.0 109.282 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.445 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 0.4 OUTLIER 81.09 9.31 1.02 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.013 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.48 -56.87 2.31 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.414 1.071 . . . . 0.0 108.298 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.959 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.451 -0.379 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.82 170.78 19.6 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.511 1.796 . . . . 0.0 111.052 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.49 163.62 25.43 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.537 1.148 . . . . 0.0 108.305 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.467 ' HA ' ' CB ' ' A' ' 14' ' ' LYS . 10.8 mt-10 -92.58 21.34 5.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.9 m -67.77 -71.2 0.22 Allowed 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.579 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.514 ' HA ' ' CA ' ' A' ' 17' ' ' THR . 34.6 p -90.18 -0.51 57.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 110.01 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.467 ' CB ' ' HA ' ' A' ' 11' ' ' GLU . 2.0 tptt -49.1 -53.42 20.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.6 t -62.06 -21.62 65.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.016 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 146.39 -23.69 1.7 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.514 ' CA ' ' HA ' ' A' ' 13' ' ' SER . 0.8 OUTLIER -178.92 138.15 0.15 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.449 0.735 . . . . 0.0 110.299 -179.851 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 17' ' ' THR . 11.2 t -41.61 129.76 3.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 108.324 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -142.5 52.4 1.43 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 1.116 . . . . 0.0 109.38 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 92.8 m -84.35 14.2 4.64 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.655 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.77 40.9 2.32 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.495 1.122 . . . . 0.0 110.937 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -162.42 -50.23 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -176.37 94.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 0.0 110.011 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.422 ' HB2' ' CB ' ' A' ' 34' ' ' CYS . 10.5 t -43.49 147.11 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 108.268 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 74.7 p -121.69 -31.75 3.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.405 1.066 . . . . 0.0 110.438 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.412 ' CB ' ' HB2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -76.49 140.78 41.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.135 . . . . 0.0 108.343 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.26 -57.98 3.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.596 1.185 . . . . 0.0 110.439 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -84.28 56.08 3.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 9.0 t -95.18 170.86 9.1 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.636 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.6 t -165.43 49.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 110.04 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -89.62 -91.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 108.321 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -178.99 139.59 0.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.22 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.4 t 73.45 6.91 5.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.585 1.178 . . . . 0.0 110.075 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.422 ' CB ' ' HB2' ' A' ' 24' ' ' CYS . 5.9 p -124.84 -49.03 1.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 108.223 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.925 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.2 t0 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 170.12 21.12 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.529 1.805 . . . . 0.0 111.016 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 p -74.99 156.19 36.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 108.317 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.54 61.86 0.24 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.252 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.75 -72.47 0.21 Allowed 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.585 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 16' ' ' GLY . 96.5 p -114.92 15.73 17.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.913 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.23 -59.63 2.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.39 -23.51 6.13 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 110.026 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 13' ' ' SER . . . 117.56 28.58 2.28 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 179.4 126.38 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 0.736 . . . . 0.0 110.425 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -48.24 133.63 15.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 108.308 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -91.32 16.34 10.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 0.0 109.278 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.8 m -102.43 39.44 1.51 Allowed 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.089 -0.96 . . . . 0.0 109.603 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -118.18 59.22 0.5 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.569 1.168 . . . . 0.0 111.084 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 140.95 -53.42 0.66 Allowed Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -158.92 97.69 1.43 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.54 0.788 . . . . 0.0 109.978 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.471 ' CB ' ' HB3' ' A' ' 34' ' ' CYS . 20.0 t -41.96 148.49 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 108.213 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.6 t -120.23 -10.18 9.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.424 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -101.98 158.49 16.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 108.321 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.501 HG22 ' H ' ' A' ' 28' ' ' ASN . 74.9 m -104.06 173.64 6.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 110.34 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.501 ' H ' HG22 ' A' ' 27' ' ' THR . 77.1 m-20 44.87 34.36 1.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 7.6 t -90.58 170.47 10.15 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.643 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -157.78 34.51 0.26 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.434 1.084 . . . . 0.0 110.01 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -78.1 -90.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 108.291 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -163.11 141.99 8.45 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.503 1.127 . . . . 0.0 109.354 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.1 m 74.3 6.15 4.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.593 1.183 . . . . 0.0 109.987 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.471 ' HB3' ' CB ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -119.35 -49.42 2.37 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.551 1.157 . . . . 0.0 108.372 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.7 tttt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.53 0.199 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 162.35 37.41 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.46 1.769 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.8 t 63.25 141.59 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.511 1.132 . . . . 0.0 108.32 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -116.96 -8.83 11.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.0 m -59.66 -61.02 2.93 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.598 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.4 t -81.99 -32.92 30.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.43 1.081 . . . . 0.0 109.952 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -73.43 -91.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 1.172 . . . . 0.0 109.2 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 t -39.98 -49.79 2.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.991 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.64 30.71 6.05 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.409 1.068 . . . . 0.0 110.924 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.702 ' O ' HG22 ' A' ' 17' ' ' THR . 0.9 OUTLIER -143.26 81.09 1.7 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.525 0.779 . . . . 0.0 110.381 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.3 t -54.04 137.38 39.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.412 1.07 . . . . 0.0 108.284 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -139.95 47.61 1.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 64.5 m -107.53 42.6 1.3 Allowed 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.601 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -99.98 50.53 1.1 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.459 1.099 . . . . 0.0 110.905 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.07 -54.8 0.38 Allowed Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.49 147.87 32.64 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.407 0.71 . . . . 0.0 109.961 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.8 t -103.87 141.64 35.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 108.286 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.0 p -119.22 -19.71 8.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.481 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -92.74 157.61 16.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 108.324 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -106.58 -39.74 5.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.405 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -84.15 58.86 4.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.441 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -93.87 -176.87 4.17 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.664 179.854 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.48 ' O ' ' C ' ' A' ' 31' ' ' CYS . 1.5 t -176.69 -27.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.008 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.48 ' C ' ' O ' ' A' ' 30' ' ' SER . 1.6 p -35.9 134.54 0.37 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 108.354 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -68.44 -12.65 61.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 0.0 109.246 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.55 11.74 12.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.993 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.4 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 4.2 t -108.69 -63.43 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 108.277 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.9 mtpt . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.239 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 166.59 28.89 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.519 1.8 . . . . 0.0 111.06 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.0 t -101.37 157.75 16.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 108.22 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -45.72 -26.16 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 110.291 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 69.6 m -56.31 -57.65 11.34 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.673 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.2 t -82.19 -30.12 31.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.441 1.088 . . . . 0.0 109.953 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -59.84 4.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.7 t -51.94 -45.1 64.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.922 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 131.46 -33.69 2.72 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.531 1.144 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 m -135.75 113.1 10.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 0.788 . . . . 0.0 110.406 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -47.39 100.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 108.289 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -94.58 21.69 7.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.568 1.168 . . . . 0.0 109.234 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.471 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -110.02 -7.25 14.96 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.608 179.785 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -42.33 -45.98 5.39 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.558 1.161 . . . . 0.0 110.985 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -92.99 -77.91 1.39 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.22 109.53 21.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.757 . . . . 0.0 110.085 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 47.7 t -86.86 161.77 18.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 108.311 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.8 t -161.47 -41.68 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.56 1.162 . . . . 0.0 110.36 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -48.65 135.71 14.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 108.308 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.88 -48.69 11.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.377 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -84.27 56.85 3.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.4 t -95.71 173.17 7.61 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.615 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.8 t -175.04 34.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.941 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.455 ' O ' ' CB ' ' A' ' 32' ' ' LYS . 1.7 m -68.95 -98.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 108.344 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 31' ' ' CYS . 5.0 mtmt 166.33 -30.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.98 14.87 5.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.989 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.5 p -133.9 -51.62 0.84 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.398 1.061 . . . . 0.0 108.26 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.4 mttt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.42 1.075 . . . . 0.0 109.218 -179.928 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 t70 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.417 ' O ' ' O ' ' A' ' 10' ' ' CYS . 18.4 Cg_endo -74.94 153.31 41.99 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.472 1.775 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.417 ' O ' ' O ' ' A' ' 9' ' ' PRO . 38.3 t 56.94 164.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 108.321 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -120.56 82.95 1.98 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.255 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -91.05 -75.74 0.46 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.626 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.54 ' O ' ' C ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -120.05 20.14 12.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 110.027 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.54 ' C ' ' O ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -29.03 -43.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 13' ' ' SER . 0.1 OUTLIER -36.37 -31.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.911 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 17' ' ' THR . . . -158.31 45.33 0.47 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.498 ' CB ' ' O ' ' A' ' 16' ' ' GLY . 0.5 OUTLIER 82.96 137.47 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 0.746 . . . . 0.0 110.437 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' THR . 0.5 OUTLIER -41.08 154.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 108.328 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -147.19 57.01 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.578 1.174 . . . . 0.0 109.299 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.447 ' CB ' ' HB3' ' A' ' 34' ' ' CYS . 2.2 m -87.12 31.78 0.71 Allowed 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.946 -1.024 . . . . 0.0 109.572 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -37.31 -81.96 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.569 1.168 . . . . 0.0 111.056 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.47 -139.98 0.06 OUTLIER Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.89 148.69 31.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.764 . . . . 0.0 110.047 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 93.1 m -59.68 131.37 50.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 108.265 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.5 t -112.79 -28.49 7.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.401 1.063 . . . . 0.0 110.413 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -74.46 169.66 17.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 108.255 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.6 m -103.03 140.13 37.69 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.47 1.106 . . . . 0.0 110.393 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 56.07 73.6 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.356 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.436 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 3.8 t -95.31 170.89 9.06 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.615 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.7 t -176.05 63.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.972 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.436 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -118.97 145.81 45.5 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.453 1.096 . . . . 0.0 108.336 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.87 -13.78 52.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.414 1.071 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.47 14.86 19.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.12 . . . . 0.0 110.018 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.447 ' HB3' ' CB ' ' A' ' 20' ' ' CYS . 19.8 p -144.24 -48.69 0.27 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 108.273 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 156.09 42.97 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.413 1.744 . . . . 0.0 111.026 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 12' ' ' CYS . 3.8 p -146.42 167.11 24.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.58 1.175 . . . . 0.0 108.209 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 15' ' ' SER . 2.1 mp0 -36.88 -31.9 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.501 1.126 . . . . 0.0 110.332 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 10' ' ' CYS . 56.4 m -50.37 -51.88 42.07 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.61 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.7 t -101.46 15.23 29.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.085 . . . . 0.0 109.995 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.2 -70.77 0.77 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 11' ' ' GLU . 0.6 OUTLIER -42.94 -48.93 5.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.495 ' O ' HG22 ' A' ' 17' ' ' THR . . . 134.29 103.55 0.79 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.546 1.154 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.495 HG22 ' O ' ' A' ' 16' ' ' GLY . 0.5 OUTLIER 73.54 148.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 110.424 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -105.45 150.32 25.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 108.364 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -146.66 54.6 1.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.233 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 69.6 m -95.88 33.38 1.69 Allowed 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.528 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.9 60.23 3.51 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 155.14 -65.77 0.32 Allowed Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.55 163.47 30.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 0.773 . . . . 0.0 110.027 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.0 t -98.92 142.99 29.73 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.483 1.114 . . . . 0.0 108.258 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.3 p -120.8 -33.81 3.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.369 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -82.26 -176.02 5.97 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.564 1.165 . . . . 0.0 108.323 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.435 ' N ' ' SG ' ' A' ' 26' ' ' CYS . 1.3 t -117.17 164.2 15.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.37 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 27' ' ' THR . 33.5 m-20 39.58 62.6 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.438 1.086 . . . . 0.0 109.344 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.439 ' O ' ' CD ' ' A' ' 35' ' ' LYS . 2.6 t -94.92 175.82 6.5 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.584 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.7 t -174.4 33.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.616 1.198 . . . . 0.0 110.026 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.542 ' O ' ' CB ' ' A' ' 32' ' ' LYS . 16.8 m -75.64 -76.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 108.326 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.542 ' CB ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER 160.45 146.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.409 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.51 7.29 6.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.968 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.7 p -127.99 -45.81 1.41 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.528 1.143 . . . . 0.0 108.284 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.439 ' CD ' ' O ' ' A' ' 29' ' ' CYS . 5.2 tttt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.3 t0 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.11 169.66 22.09 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.515 1.798 . . . . 0.0 110.957 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.6 t -82.66 152.65 25.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 108.271 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -89.97 81.42 6.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.081 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.401 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 58.5 m -74.7 -72.0 0.31 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.593 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.3 t -115.12 -37.52 4.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.976 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.5 ' O ' ' C ' ' A' ' 15' ' ' SER . 2.9 tttm 79.77 -48.73 0.37 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.558 1.161 . . . . 0.0 109.378 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.5 ' C ' ' O ' ' A' ' 14' ' ' LYS . 1.7 t -31.39 -43.33 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.996 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.46 ' O ' HG22 ' A' ' 17' ' ' THR . . . 164.51 99.53 0.14 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.458 1.099 . . . . 0.0 110.947 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.46 HG22 ' O ' ' A' ' 16' ' ' GLY . 0.5 OUTLIER 77.75 149.53 0.1 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.525 0.78 . . . . 0.0 110.383 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -52.23 161.37 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.393 1.058 . . . . 0.0 108.331 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.438 ' N ' ' SG ' ' A' ' 18' ' ' CYS . 4.7 t-20 -154.47 59.03 0.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 61.2 m -94.3 32.15 1.59 Allowed 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.636 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.45 -67.75 1.51 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.49 -74.89 0.24 Allowed Glycine 0 CA--C 1.531 1.088 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -158.19 126.82 5.5 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.56 0.8 . . . . 0.0 110.052 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.9 t -62.42 136.85 58.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 108.332 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.4 t -126.52 -40.22 1.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 110.407 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.401 ' SG ' ' HA ' ' A' ' 12' ' ' CYS . 1.2 p -52.71 171.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.637 1.211 . . . . 0.0 108.328 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.401 HG23 HD22 ' A' ' 28' ' ' ASN . 6.3 t -117.75 150.0 39.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.481 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.401 HD22 HG23 ' A' ' 27' ' ' THR . 21.1 m-80 57.74 53.71 6.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.385 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 5.0 t -95.63 171.13 8.86 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.492 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.7 t -172.73 60.45 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 110.007 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 97.8 m -94.43 -94.88 0.17 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 108.347 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -176.35 -37.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 m -73.12 -0.02 12.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.029 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.6 p -128.54 -47.52 1.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 108.312 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.419 1.074 . . . . 0.0 109.294 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 164.53 33.05 Favored 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.491 1.785 . . . . 0.0 110.973 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 p -78.58 160.72 27.45 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.49 1.119 . . . . 0.0 108.279 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -88.71 49.42 1.78 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.527 1.142 . . . . 0.0 110.256 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -87.47 -51.87 5.68 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.631 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.83 -33.2 8.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 109.988 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.87 -63.26 1.21 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.251 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.8 t -42.8 -53.67 4.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.044 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 141.29 -46.19 0.92 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.458 1.098 . . . . 0.0 111.013 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.7 m -123.01 101.08 7.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 110.424 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -45.95 111.34 0.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 108.343 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -99.72 27.19 5.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.604 1.19 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.47 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -106.47 -7.11 17.71 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.587 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -38.29 -46.67 1.98 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.459 1.099 . . . . 0.0 111.021 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -102.54 -89.16 2.08 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.11 109.15 5.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.356 0.68 . . . . 0.0 109.915 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 39.9 t -105.55 141.38 37.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 1.076 . . . . 0.0 108.274 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.2 p -135.84 -41.21 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.4 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -49.01 150.95 1.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 108.279 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -100.45 -43.1 6.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.356 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -84.83 58.25 4.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 t -93.13 177.72 5.97 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.571 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.8 t -165.48 31.16 0.06 Allowed 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.465 1.103 . . . . 0.0 109.947 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 73.7 m -96.16 142.89 27.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 108.393 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.31 -41.6 14.43 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.8 -12.23 16.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.078 . . . . 0.0 110.033 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -106.35 -18.77 13.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.584 1.177 . . . . 0.0 108.318 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.338 179.955 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 167.69 26.49 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.504 1.792 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.8 t -76.46 156.17 33.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 108.287 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.431 ' HA ' ' CB ' ' A' ' 14' ' ' LYS . 1.1 mp0 -54.44 -19.61 6.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.284 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 18.7 m -49.69 -50.37 43.96 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.556 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.0 t -83.08 -22.74 33.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.085 . . . . 0.0 109.937 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.431 ' CB ' ' HA ' ' A' ' 11' ' ' GLU . 0.6 OUTLIER -50.76 -59.72 3.8 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.498 1.124 . . . . 0.0 109.369 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 61.7 p -60.06 -34.95 74.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 110.009 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.03 -26.22 6.84 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.523 1.139 . . . . 0.0 111.069 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.8 m -133.26 120.9 21.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 0.737 . . . . 0.0 110.356 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.412 ' O ' ' SG ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -63.45 91.21 0.05 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.515 1.134 . . . . 0.0 108.285 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 19' ' ' ASN . 14.2 t-20 -93.13 22.68 4.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.487 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -92.24 -3.41 55.54 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.649 179.867 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.1 84.83 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.446 1.091 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 20' ' ' CYS . . . 143.71 -106.93 0.44 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.25 94.18 4.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.469 0.746 . . . . 0.0 110.055 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.459 ' CB ' ' HB2' ' A' ' 20' ' ' CYS . 11.7 p -101.32 162.58 12.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 108.347 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.5 p -115.65 -21.4 9.7 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.421 1.076 . . . . 0.0 110.396 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -49.8 144.18 6.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 108.268 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.81 -43.68 7.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.621 1.201 . . . . 0.0 110.377 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -84.5 57.88 4.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.225 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 t -95.08 174.31 7.14 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.635 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.8 t -164.25 37.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.97 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -118.87 -150.44 0.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 108.28 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.427 ' C ' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -124.16 -158.8 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.221 -179.898 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 47.84 22.05 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.427 ' N ' ' C ' ' A' ' 32' ' ' LYS . 27.7 p -157.17 -47.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 0.0 108.286 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.2 tttp . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.337 179.908 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.7 t70 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 154.15 42.15 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.513 1.796 . . . . 0.0 110.938 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 53.5 t 58.75 162.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.628 1.205 . . . . 0.0 108.322 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -94.79 59.43 2.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 0.0 110.315 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 90.4 m -62.8 -69.25 0.27 Allowed 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.586 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.401 ' HG ' ' C ' ' A' ' 17' ' ' THR . 8.1 p -117.41 -12.29 10.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.414 1.071 . . . . 0.0 109.98 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 15' ' ' SER . 0.3 OUTLIER 71.39 -58.47 0.58 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.625 1.203 . . . . 0.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 14' ' ' LYS . 43.4 t -36.51 -56.91 0.79 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.535 1.147 . . . . 0.0 110.027 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 162.61 -47.67 0.33 Allowed Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.435 1.084 . . . . 0.0 111.011 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.401 ' C ' ' HG ' ' A' ' 13' ' ' SER . 1.9 m -82.4 94.88 7.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 0.791 . . . . 0.0 110.448 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.419 ' O ' ' SG ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -47.68 108.46 0.16 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.566 1.166 . . . . 0.0 108.248 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -96.03 24.9 5.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.401 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.526 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -89.43 -3.22 58.5 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.566 179.872 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 20' ' ' CYS . . . -33.4 -48.68 0.47 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.563 1.164 . . . . 0.0 111.018 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 20' ' ' CYS . . . -93.05 -145.92 18.2 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.24 94.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 110.038 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.434 ' CB ' ' HB2' ' A' ' 20' ' ' CYS . 27.7 p -80.99 155.09 26.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 108.279 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.4 t -128.68 17.07 6.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.578 1.174 . . . . 0.0 110.405 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.5 p -87.57 166.08 14.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 108.25 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 98.6 m -103.2 154.32 19.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.369 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 46.49 70.23 0.41 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.356 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.3 t -95.72 172.37 8.08 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.523 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.96 58.03 0.1 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.507 1.129 . . . . 0.0 109.946 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 70.7 m -123.39 136.83 54.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 108.309 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.86 -5.2 44.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.84 10.65 25.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.035 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 17.3 p -148.52 -47.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 108.214 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.23 -179.88 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.9 t70 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 164.88 32.4 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.508 1.794 . . . . 0.0 110.944 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.443 ' SG ' ' HA ' ' A' ' 29' ' ' CYS . 3.6 t 65.65 152.3 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 108.257 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.5 44.19 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 110.277 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.438 ' HB3' ' HA ' ' A' ' 18' ' ' CYS . 6.4 m -69.58 -77.05 0.09 Allowed 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.043 -0.981 . . . . 0.0 109.602 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 17' ' ' THR . 5.0 p -122.34 -27.33 4.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.003 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 15' ' ' SER . 0.7 OUTLIER 79.37 -55.67 0.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 14' ' ' LYS . 40.5 t -39.36 -53.85 1.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.172 . . . . 0.0 110.023 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 162.23 -27.75 0.26 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.387 1.055 . . . . 0.0 110.968 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.466 ' O ' ' CB ' ' A' ' 13' ' ' SER . 10.6 t -115.97 113.86 23.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 110.408 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.438 ' HA ' ' HB3' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -40.35 145.71 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 108.303 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -142.4 53.31 1.43 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.402 1.064 . . . . 0.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.1 m -85.63 31.37 0.6 Allowed 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.584 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.05 -49.93 3.18 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.542 1.151 . . . . 0.0 110.96 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.58 -61.05 5.63 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.56 137.85 4.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.403 0.707 . . . . 0.0 109.967 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.0 t -79.76 142.43 35.4 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.355 1.034 . . . . 0.0 108.359 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.4 p -124.74 -40.8 2.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.593 1.183 . . . . 0.0 110.347 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -49.69 132.47 21.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.555 1.16 . . . . 0.0 108.3 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.411 HG23 ' ND2' ' A' ' 28' ' ' ASN . 12.9 t -74.29 -35.52 63.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.429 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.411 ' ND2' HG23 ' A' ' 27' ' ' THR . 69.7 m-80 -124.28 75.84 1.42 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.443 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 5.2 t -70.86 164.65 24.87 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.553 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 p -130.75 1.75 4.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.081 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.1 p -107.76 175.93 5.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 108.325 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.405 ' O ' ' SG ' ' A' ' 34' ' ' CYS . 13.9 mtmm -104.02 -153.66 0.48 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.57 1.169 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 57.19 15.58 2.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.983 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 6.3 p -161.88 -52.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 108.345 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt . . . . . 0 C--N 1.327 -0.4 0 O-C-N 124.577 1.173 . . . . 0.0 109.285 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 168.29 25.16 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.513 1.796 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.13 152.37 34.95 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.553 1.158 . . . . 0.0 108.265 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.4 ' HG2' ' CB ' ' A' ' 14' ' ' LYS . 42.3 mt-10 -127.47 80.84 1.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.402 ' HB3' ' HB2' ' A' ' 18' ' ' CYS . 2.3 m -60.63 -61.67 2.42 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.942 -1.026 . . . . 0.0 109.579 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.5 OUTLIER -96.06 -30.78 13.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.603 1.189 . . . . 0.0 110.036 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.4 ' CB ' ' HG2' ' A' ' 11' ' ' GLU . 3.4 mptp? -45.01 -52.7 8.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.383 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.8 p -60.68 -30.17 69.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.042 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 13' ' ' SER . . . 140.57 82.74 0.08 OUTLIER Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.537 1.148 . . . . 0.0 110.949 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 16' ' ' GLY . 0.4 OUTLIER 60.47 143.7 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.501 0.766 . . . . 0.0 110.446 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.402 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 7.1 t -74.78 122.27 23.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 108.283 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -128.24 45.91 2.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.598 1.186 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 98.9 m -87.4 31.84 0.73 Allowed 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.595 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.31 56.24 4.94 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.574 1.171 . . . . 0.0 110.967 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.76 23.92 21.99 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -163.45 87.79 0.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 0.0 109.895 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.2 t -79.49 139.63 37.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.072 . . . . 0.0 108.237 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.9 t -124.53 -36.92 2.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.109 . . . . 0.0 110.367 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -76.85 151.39 35.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 108.345 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.5 HG23 ' N ' ' A' ' 28' ' ' ASN . 0.3 OUTLIER -89.13 170.69 10.4 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.468 1.105 . . . . 0.0 110.37 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.5 ' N ' HG23 ' A' ' 27' ' ' THR . 9.8 p-10 33.4 54.73 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 14.3 t -87.51 167.57 13.84 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.629 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.1 t -176.52 34.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.112 . . . . 0.0 109.992 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 8.0 p -79.9 -49.45 11.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 108.321 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.461 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 4.3 tmtt? 171.08 140.7 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.582 1.176 . . . . 0.0 109.397 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.436 ' N ' ' HG2' ' A' ' 32' ' ' LYS . 0.4 OUTLIER 68.33 15.77 9.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.966 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.9 m -130.52 -55.67 1.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 108.255 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.946 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 174.25 13.1 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.509 1.794 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 t -75.89 150.48 37.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.121 . . . . 0.0 108.371 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -84.69 71.12 10.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.585 1.178 . . . . 0.0 110.252 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.424 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.5 OUTLIER -81.29 -36.34 29.97 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.612 179.882 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.424 ' CB ' ' O ' ' A' ' 12' ' ' CYS . 0.5 OUTLIER 164.5 -30.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 110.029 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 15' ' ' SER . 27.8 mttm 72.14 -57.61 0.61 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.394 1.058 . . . . 0.0 109.26 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 14' ' ' LYS . 24.9 t -35.29 -56.63 0.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 0.0 110.029 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 155.22 -21.31 0.56 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.477 1.111 . . . . 0.0 111.05 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.0 m -73.71 93.02 2.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.579 0.811 . . . . 0.0 110.449 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.32 138.21 31.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.445 1.091 . . . . 0.0 108.222 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -95.43 23.83 5.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.393 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.6 m -108.97 39.57 2.0 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.564 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -110.06 27.36 11.94 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.468 1.105 . . . . 0.0 111.088 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 179.59 -40.93 0.08 OUTLIER Glycine 0 CA--C 1.529 0.941 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.05 133.27 5.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.467 0.745 . . . . 0.0 110.032 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.8 t -88.05 144.43 26.52 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.511 1.132 . . . . 0.0 108.219 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.2 t -120.01 -16.72 8.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 110.418 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.93 139.92 30.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 108.283 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -87.98 -43.95 11.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.166 . . . . 0.0 110.423 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.422 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 11.4 p30 -88.66 47.27 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 4.5 t -95.39 171.99 8.36 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.612 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.9 t -174.13 53.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 110.065 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 3.2 m -103.22 -73.31 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 108.303 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 33' ' ' SER . 0.0 OUTLIER -179.23 137.29 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.619 1.199 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 0.1 OUTLIER 79.0 8.76 1.88 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.468 1.105 . . . . 0.0 110.008 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.85 -53.8 2.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 108.29 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.373 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.88 168.39 24.95 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.439 1.757 . . . . 0.0 111.007 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.6 p -76.62 157.29 32.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.403 1.064 . . . . 0.0 108.264 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.4 ' O ' ' SG ' ' A' ' 26' ' ' CYS . 3.4 mp0 -67.66 76.37 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.426 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 1.2 m -73.17 -71.39 0.31 Allowed 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.585 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 17' ' ' THR . 32.2 t -118.31 -33.45 4.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.598 1.186 . . . . 0.0 110.033 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 13' ' ' SER . 1.2 tttp 84.41 -55.17 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 109.232 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.2 p -40.38 -47.17 2.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.007 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 155.79 -24.04 0.55 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.511 1.132 . . . . 0.0 111.038 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.508 ' O ' ' CB ' ' A' ' 13' ' ' SER . 5.8 t -125.36 117.48 23.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 0.781 . . . . 0.0 110.328 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -40.18 147.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 108.275 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.423 ' N ' ' HB2' ' A' ' 13' ' ' SER . 26.1 t-20 -152.93 59.6 0.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.355 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.7 m -79.86 9.49 5.22 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.59 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.57 -36.27 92.25 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.605 1.191 . . . . 0.0 110.969 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -104.57 70.5 0.25 Allowed Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.86 162.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.761 . . . . 0.0 109.973 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.413 ' HB2' ' CB ' ' A' ' 34' ' ' CYS . 8.1 t -107.97 142.07 38.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 108.259 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.3 p -118.61 -18.03 9.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 110.334 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.426 ' SG ' ' HA ' ' A' ' 12' ' ' CYS . 1.4 p -97.1 164.27 12.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.568 1.168 . . . . 0.0 108.317 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.479 HG23 ' N ' ' A' ' 28' ' ' ASN . 0.8 OUTLIER -109.43 -177.49 3.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.419 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.479 ' N ' HG23 ' A' ' 27' ' ' THR . 20.3 p30 39.06 31.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.619 1.2 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.442 ' N ' ' C ' ' A' ' 27' ' ' THR . 5.5 t -83.02 171.56 13.67 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.908 -1.042 . . . . 0.0 109.632 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.9 t -169.72 63.22 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.985 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.401 ' O ' ' HB3' ' A' ' 32' ' ' LYS . 95.3 m -105.28 -87.37 0.45 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 108.309 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -176.2 139.89 0.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.081 . . . . 0.0 109.386 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.46 9.12 5.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.001 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.413 ' CB ' ' HB2' ' A' ' 24' ' ' CYS . 11.1 p -130.5 -48.63 1.07 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.519 1.137 . . . . 0.0 108.299 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.4 tttm . . . . . 0 C--N 1.326 -0.433 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.973 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.411 ' HB3' ' CB ' ' A' ' 13' ' ' SER . 12.0 t70 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.444 ' O ' ' CB ' ' A' ' 10' ' ' CYS . 18.4 Cg_endo -74.94 168.45 24.82 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.531 1.806 . . . . 0.0 111.027 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 9' ' ' PRO . 0.1 OUTLIER 83.19 143.4 0.07 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 108.409 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.446 ' O ' ' CB ' ' A' ' 15' ' ' SER . 14.6 mm-40 -68.35 -11.32 59.38 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.541 1.15 . . . . 0.0 110.278 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 67.5 m -60.49 -56.94 15.31 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.597 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.411 ' CB ' ' HB3' ' A' ' 8' ' ' ASP . 4.2 m -86.87 -33.35 19.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 109.974 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -66.17 -74.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 1.3 p -44.8 -50.5 10.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.052 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.63 -58.76 0.58 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.44 1.087 . . . . 0.0 110.961 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.3 m -89.17 87.6 7.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 110.399 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -50.6 103.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 108.302 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -97.25 23.36 7.53 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.453 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -98.0 -7.74 29.33 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.549 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -47.97 101.43 0.04 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.575 1.172 . . . . 0.0 111.02 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 24' ' ' CYS . . . 108.0 -118.74 5.52 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.494 ' O ' HG23 ' A' ' 25' ' ' THR . 0.3 OUTLIER -58.33 86.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.562 0.801 . . . . 0.0 109.996 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.433 ' N ' ' O ' ' A' ' 22' ' ' GLY . 8.6 t -58.81 137.89 57.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 108.316 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.494 HG23 ' O ' ' A' ' 23' ' ' SER . 21.6 p -136.96 -42.33 0.58 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 0.0 110.406 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -49.75 165.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 108.304 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.1 m -102.3 149.43 24.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.472 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 43.59 76.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.1 t -95.63 171.57 8.59 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.622 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.3 t -145.83 17.42 1.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.97 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.1 m -78.25 144.94 35.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.641 1.213 . . . . 0.0 108.3 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.9 pttm -94.54 -5.66 45.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.431 1.082 . . . . 0.0 109.325 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.87 14.86 22.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.13 . . . . 0.0 110.049 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.7 p -142.81 -48.07 0.33 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 108.288 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.8 mptt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.209 -179.913 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.1 t70 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 176.55 9.78 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.556 1.819 . . . . 0.0 110.973 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.75 164.39 26.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.371 1.044 . . . . 0.0 108.327 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -157.11 100.88 1.89 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.406 1.066 . . . . 0.0 110.282 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.13 -81.15 0.34 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.58 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.462 ' O ' ' C ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -120.35 17.65 12.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.394 1.059 . . . . 0.0 109.951 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 16' ' ' GLY . 9.3 mtpt -35.1 -40.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.3 t -38.04 -30.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 14' ' ' LYS . . . -168.16 74.02 0.13 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.57 1.169 . . . . 0.0 111.039 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 18' ' ' CYS . 0.6 OUTLIER 66.47 117.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 0.767 . . . . 0.0 110.375 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -40.05 157.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 108.261 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.425 ' N ' ' HB2' ' A' ' 13' ' ' SER . 11.4 t-20 -149.23 58.83 1.03 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.8 m -84.93 31.27 0.55 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.975 -1.012 . . . . 0.0 109.594 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -76.81 -45.45 12.57 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.537 1.148 . . . . 0.0 111.0 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.65 -69.45 1.38 Allowed Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -167.52 145.32 4.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 0.751 . . . . 0.0 109.988 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 89.6 m -64.2 126.79 28.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 0.0 108.234 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.4 t -99.39 -27.19 13.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.339 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.84 161.47 15.96 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.142 . . . . 0.0 108.257 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.08 -54.65 3.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.426 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -86.28 50.58 2.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.9 t -67.26 171.51 5.74 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.562 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 t -174.83 79.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.957 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -135.84 155.01 50.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.457 1.098 . . . . 0.0 108.346 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.3 -4.96 59.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.49 8.19 45.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 1.171 . . . . 0.0 110.005 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 6.7 p -144.78 -46.46 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 108.269 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 170.19 20.94 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.567 1.825 . . . . 0.0 110.977 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.91 140.75 40.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.438 1.086 . . . . 0.0 108.235 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -60.21 -16.15 30.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.6 m -64.42 -63.72 1.06 Allowed 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.514 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 84.1 p -76.97 -36.47 56.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.421 1.076 . . . . 0.0 109.974 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.405 ' HG2' ' N ' ' A' ' 15' ' ' SER . 20.2 ttpp -58.18 -89.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.384 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.405 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 46.7 t -43.16 -44.09 4.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 110.019 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.79 35.14 4.69 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.655 1.222 . . . . 0.0 110.951 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.0 m -154.46 108.91 3.01 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.441 0.73 . . . . 0.0 110.509 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.3 114.76 2.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 108.284 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -93.47 23.71 4.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.402 1.064 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.7 m -104.44 38.78 1.8 Allowed 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.672 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.65 -47.06 1.14 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.525 1.141 . . . . 0.0 110.963 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -94.8 -52.58 1.78 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.064 -0.815 . . . . 0.0 111.064 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -163.29 106.66 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 0.796 . . . . 0.0 110.014 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.7 t -57.2 141.03 47.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.406 1.066 . . . . 0.0 108.272 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.8 t -125.08 -40.19 2.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.583 1.177 . . . . 0.0 110.393 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.55 139.99 36.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.396 1.06 . . . . 0.0 108.271 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.4 t -92.25 -43.35 9.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.516 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -85.71 53.18 2.68 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.6 t -96.01 175.0 6.65 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.557 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.5 t -165.21 29.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.386 1.054 . . . . 0.0 109.975 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 2.6 m -95.09 150.42 20.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 108.355 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.5 ptpp? -82.44 -4.65 57.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.43 8.5 13.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.021 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.5 p -140.49 -49.09 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 108.309 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.226 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_