data_1bbg_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 1bbg _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.583 ' O ' ' OD1' ' A' ' 2' ' ' ASP . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.243 0.544 . . . . 4.4400000000000004 110.262 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.893 ' HA ' HG23 ' A' ' 40' ' ' THR . 1.4 m-20 -155.94 -177.75 6.8 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.337 -0.852 . . . . 2.8300000000000001 110.116 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 166.11 -158.99 32.14 Favored Glycine 0 N--CA 1.491 2.317 0 C-N-CA 120.003 -1.094 . . . . 1.0 110.478 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.5 mt -127.68 -179.68 5.06 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.452 -1.028 . . . . 1.2 109.611 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.615 ' HB2' ' OD1' ' A' ' 36' ' ' ASN . 13.1 t -140.89 152.71 45.28 Favored 'General case' 0 N--CA 1.504 2.241 0 O-C-N 120.615 -1.303 . . . . 0.60999999999999999 110.714 179.814 -165.903 99.207 115.935 104.936 2.024 104.573 -166.501 175.914 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.998 ' CE1' ' NZ ' ' A' ' 13' ' ' LYS . 24.7 p90 -134.33 165.56 24.86 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.176 -1.046 . . . . 0.92000000000000004 108.176 179.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -121.55 144.19 48.86 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 117.933 -1.507 . . . . 1.25 111.083 -178.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 153.54 -121.43 1.15 Allowed Glycine 0 N--CA 1.485 1.925 0 C-N-CA 120.308 -0.949 . . . . 0.29999999999999999 110.782 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.982 HG22 HG21 ' A' ' 14' ' ' VAL 0.273 23.5 m -155.48 23.74 0.41 Allowed 'General case' 0 N--CA 1.485 1.297 0 O-C-N 121.208 -1.172 . . . . 1.1399999999999999 111.045 -178.257 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.638 ' HB3' ' OH ' ' A' ' 6' ' ' TYR . 18.2 t30 -74.06 -7.96 54.39 Favored 'General case' 0 N--CA 1.505 2.278 0 O-C-N 120.406 -1.433 . . . . 0.57999999999999996 113.007 -177.008 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 1.315 ' HB2' ' SG ' ' A' ' 18' ' ' CYS . 34.7 m -124.91 25.45 7.34 Favored 'General case' 0 C--N 1.281 -2.372 0 CA-C-O 122.183 0.992 . . . . 0.5 109.271 178.433 -77.976 -56.546 -126.757 103.178 2.024 105.171 14.132 -160.209 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.45 9.71 84.52 Favored Glycine 0 C--N 1.287 -2.168 0 C-N-CA 118.881 -1.628 . . . . 0.63 109.495 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 1.282 ' HD2' ' C ' ' A' ' 17' ' ' TYR . 0.5 OUTLIER -88.7 57.29 4.11 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-O 122.469 1.128 . . . . 2.5499999999999998 109.848 -179.536 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.982 HG21 HG22 ' A' ' 9' ' ' THR . 24.1 t -66.63 111.38 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.119 0 CA-C-N 115.034 -0.985 . . . . 1.1699999999999999 108.737 179.018 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.02 -27.06 22.34 Favored Glycine 0 N--CA 1.494 2.511 0 N-CA-C 109.406 -1.478 . . . . 0.34000000000000002 109.406 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 1.127 ' HD2' ' CA ' ' A' ' 30' ' ' ASP . 53.7 mtmt -109.62 -132.41 0.32 Allowed 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.899 -1.354 . . . . 1.97 108.956 178.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 1.282 ' C ' ' HD2' ' A' ' 13' ' ' LYS . 14.9 m-85 -150.17 177.14 10.19 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 119.873 -1.767 . . . . 1.01 110.022 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 1.315 ' SG ' ' HB2' ' A' ' 11' ' ' CYS . 76.7 m -137.41 159.64 41.37 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.402 -1.436 . . . . 0.34999999999999998 110.545 -179.247 -71.1 -72.718 107.235 102.992 2.015 104.158 -114.816 -45.935 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.987 ' HB3' ' SG ' ' A' ' 35' ' ' CYS . 1.8 p -137.64 121.47 17.59 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.338 -0.851 . . . . 0.51000000000000001 111.588 -179.014 41.477 -157.498 -69.071 103.046 2.015 102.873 -105.749 -78.624 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.695 ' HB3' ' H ' ' A' ' 26' ' ' CYS . 3.0 p -165.72 119.13 0.89 Allowed Pre-proline 0 N--CA 1.502 2.126 0 N-CA-C 108.607 -0.886 . . . . 1.1299999999999999 108.607 178.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.465 ' HD2' ' HD2' ' A' ' 25' ' ' TYR . 45.4 Cg_endo -76.84 6.79 3.93 Favored 'Trans proline' 0 C--N 1.303 -1.842 0 O-C-N 123.642 1.338 . . . . 0.87 110.941 -179.047 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 1.109 HG23 ' CD ' ' A' ' 24' ' ' LYS . 1.5 tt -165.43 10.51 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.019 0 CA-C-O 122.367 1.08 . . . . 1.6000000000000001 109.723 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.78 10.3 80.05 Favored Glycine 0 C--N 1.279 -2.636 0 N-CA-C 108.301 -1.92 . . . . 1.6499999999999999 108.301 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 1.109 ' CD ' HG23 ' A' ' 22' ' ' ILE . 2.9 ptmt -85.1 -34.8 22.13 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.807 -0.82 . . . . 2.3599999999999999 110.907 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.789 ' O ' HG21 ' A' ' 27' ' ' VAL . 49.0 m-85 -85.76 -35.76 20.56 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.085 -1.009 . . . . 2.3500000000000001 110.541 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.695 ' H ' ' HB3' ' A' ' 20' ' ' SER . 6.6 t 32.42 62.2 0.32 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.045 -1.034 . . . . 0.48999999999999999 109.331 -179.528 -160.209 14.132 -126.757 105.171 2.024 103.178 -56.546 -77.976 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.87 ' O ' ' SG ' ' A' ' 19' ' ' CYS . 88.0 t -114.69 118.79 59.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 N-CA-C 108.531 -0.915 . . . . 1.24 108.531 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 1.209 ' SG ' ' CB ' ' A' ' 11' ' ' CYS . 12.9 m -115.62 162.75 16.79 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.902 -1.124 . . . . 0.38 112.394 -177.17 -45.935 -114.816 107.235 104.158 2.015 102.992 -72.718 -71.1 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 1.349 ' CB ' HG23 ' A' ' 34' ' ' ILE . 68.0 m-85 -149.24 170.11 19.22 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 115.75 -0.659 . . . . 0.83999999999999997 109.399 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 1.127 ' CA ' ' HD2' ' A' ' 16' ' ' LYS . 4.1 p-10 -79.7 -41.36 26.92 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 120.728 -1.233 . . . . 1.1899999999999999 110.415 178.245 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 1.065 ' HB2' HG13 ' A' ' 34' ' ' ILE . 2.1 m -78.51 98.32 6.04 Favored 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 108.093 -1.077 . . . . 0.88 108.093 178.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.933 ' O ' ' HB3' ' A' ' 35' ' ' CYS . 15.5 ptpt -37.66 -38.2 0.26 Allowed 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 105.702 -1.962 . . . . 2.21 105.702 -178.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.618 ' N ' ' HG3' ' A' ' 32' ' ' LYS . . . -56.1 -44.96 79.55 Favored 'General case' 0 C--O 1.194 -1.824 0 N-CA-C 107.808 -1.182 . . . . 1.23 107.808 176.313 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 1.349 HG23 ' CB ' ' A' ' 29' ' ' TYR . 2.5 mt -55.82 -24.1 16.24 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.01 0 O-C-N 120.33 -1.482 . . . . 1.0700000000000001 108.917 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 1.371 ' O ' ' CB ' ' A' ' 39' ' ' CYS . 42.1 t -62.52 -72.98 0.11 Allowed 'General case' 0 C--N 1.282 -2.36 0 N-CA-C 106.724 -1.584 . . . . 0.51000000000000001 106.724 177.2 175.914 -166.501 115.935 104.573 2.024 104.936 99.207 -165.903 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.615 ' OD1' ' HB2' ' A' ' 5' ' ' CYS . 3.9 m-20 -54.95 -52.97 61.34 Favored 'General case' 0 N--CA 1.503 2.185 0 C-N-CA 119.709 -0.796 . . . . 2.5899999999999999 110.559 178.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.885 ' HD2' ' ND2' ' A' ' 38' ' ' ASN . 0.2 OUTLIER -59.05 -80.74 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 113.012 0.745 . . . . 1.8100000000000001 113.012 -179.075 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.885 ' ND2' ' HD2' ' A' ' 37' ' ' LYS . 54.4 m-80 -60.48 -36.96 79.53 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-O 121.975 0.893 . . . . 0.55000000000000004 109.882 -179.189 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 1.371 ' CB ' ' O ' ' A' ' 35' ' ' CYS . 31.6 m -51.19 -28.88 12.36 Favored 'General case' 0 C--N 1.289 -2.023 0 C-N-CA 119.081 -1.048 . . . . 0.79000000000000004 110.39 179.73 -78.624 -105.749 -69.071 102.873 2.015 103.046 -157.498 41.477 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.893 HG23 ' HA ' ' A' ' 2' ' ' ASP . 8.8 p . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 118.024 -0.989 . . . . 1.54 110.166 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.583 ' O ' ' OD1' ' A' ' 2' ' ' ASP . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.243 0.544 . . . . 4.4400000000000004 110.262 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.749 ' HA ' HG22 ' A' ' 40' ' ' THR . 1.4 m-20 -155.94 -177.75 6.8 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.337 -0.852 . . . . 2.8300000000000001 110.116 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 166.11 -158.99 32.14 Favored Glycine 0 N--CA 1.491 2.317 0 C-N-CA 120.003 -1.094 . . . . 0.78000000000000003 110.478 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.5 mt -127.68 -179.68 5.06 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.452 -1.028 . . . . 0.5 109.611 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.637 ' HB2' ' OD1' ' A' ' 36' ' ' ASN . 13.1 t -140.89 152.71 45.28 Favored 'General case' 0 N--CA 1.504 2.241 0 O-C-N 120.615 -1.303 . . . . 0.60999999999999999 110.714 179.814 -165.903 99.207 115.935 104.936 2.024 104.573 -166.501 175.914 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.998 ' CE1' ' NZ ' ' A' ' 13' ' ' LYS . 24.7 p90 -134.33 165.56 24.86 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.176 -1.046 . . . . 0.51000000000000001 108.176 179.441 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -121.55 144.19 48.86 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 117.933 -1.507 . . . . 1.25 111.083 -178.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 153.54 -121.43 1.15 Allowed Glycine 0 N--CA 1.485 1.925 0 C-N-CA 120.308 -0.949 . . . . 0.26000000000000001 110.782 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.828 ' O ' HG22 ' A' ' 9' ' ' THR 0.273 23.5 m -155.48 23.74 0.41 Allowed 'General case' 0 N--CA 1.485 1.297 0 O-C-N 121.208 -1.172 . . . . 0.40000000000000002 111.045 -178.257 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.646 ' HB3' ' OH ' ' A' ' 6' ' ' TYR . 18.2 t30 -74.06 -7.96 54.39 Favored 'General case' 0 N--CA 1.505 2.278 0 O-C-N 120.406 -1.433 . . . . 0.57999999999999996 113.007 -177.008 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 1.328 ' HB2' ' SG ' ' A' ' 18' ' ' CYS . 34.7 m -124.91 25.45 7.34 Favored 'General case' 0 C--N 1.281 -2.372 0 CA-C-O 122.183 0.992 . . . . 0.5 109.271 178.433 -77.976 -56.546 -126.757 103.178 2.024 105.171 14.132 -160.209 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.45 9.71 84.52 Favored Glycine 0 C--N 1.287 -2.168 0 C-N-CA 118.881 -1.628 . . . . 0.60999999999999999 109.495 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 1.274 ' HD2' ' C ' ' A' ' 17' ' ' TYR . 0.5 OUTLIER -88.7 57.29 4.11 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-O 122.469 1.128 . . . . 2.0099999999999998 109.848 -179.536 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.682 HG23 HG23 ' A' ' 9' ' ' THR . 24.1 t -66.63 111.38 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.119 0 CA-C-N 115.034 -0.985 . . . . 0.48999999999999999 108.737 179.018 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.02 -27.06 22.34 Favored Glycine 0 N--CA 1.494 2.511 0 N-CA-C 109.406 -1.478 . . . . 0.32000000000000001 109.406 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 1.139 ' HD2' ' CA ' ' A' ' 30' ' ' ASP . 53.7 mtmt -109.62 -132.41 0.32 Allowed 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.899 -1.354 . . . . 1.3899999999999999 108.956 178.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 1.274 ' C ' ' HD2' ' A' ' 13' ' ' LYS . 14.9 m-85 -150.17 177.14 10.19 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 119.873 -1.767 . . . . 0.38 110.022 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 1.328 ' SG ' ' HB2' ' A' ' 11' ' ' CYS . 76.7 m -137.41 159.64 41.37 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.402 -1.436 . . . . 0.29999999999999999 110.545 -179.247 -71.1 -72.718 107.235 102.992 2.015 104.158 -114.816 -45.935 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.984 ' HB3' ' SG ' ' A' ' 35' ' ' CYS . 1.8 p -137.64 121.47 17.59 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.338 -0.851 . . . . 0.51000000000000001 111.588 -179.014 41.477 -157.498 -69.071 103.046 2.015 102.873 -105.749 -78.624 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.741 ' HB3' ' H ' ' A' ' 26' ' ' CYS . 3.0 p -165.72 119.13 0.89 Allowed Pre-proline 0 N--CA 1.502 2.126 0 N-CA-C 108.607 -0.886 . . . . 0.57999999999999996 108.607 178.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.483 ' HD2' ' HD2' ' A' ' 25' ' ' TYR . 45.4 Cg_endo -76.84 6.79 3.93 Favored 'Trans proline' 0 C--N 1.303 -1.842 0 O-C-N 123.642 1.338 . . . . 0.87 110.941 -179.047 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 1.019 HG21 ' HD2' ' A' ' 24' ' ' LYS . 1.5 tt -165.43 10.51 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.019 0 CA-C-O 122.367 1.08 . . . . 1.6000000000000001 109.723 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.78 10.3 80.05 Favored Glycine 0 C--N 1.279 -2.636 0 N-CA-C 108.301 -1.92 . . . . 0.95999999999999996 108.301 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 1.019 ' HD2' HG21 ' A' ' 22' ' ' ILE . 2.9 ptmt -85.1 -34.8 22.13 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.807 -0.82 . . . . 1.8 110.907 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.704 ' O ' HG23 ' A' ' 27' ' ' VAL . 49.0 m-85 -85.76 -35.76 20.56 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.085 -1.009 . . . . 1.5 110.541 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.741 ' H ' ' HB3' ' A' ' 20' ' ' SER . 6.6 t 32.42 62.2 0.32 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.045 -1.034 . . . . 0.48999999999999999 109.331 -179.528 -160.209 14.132 -126.757 105.171 2.024 103.178 -56.546 -77.976 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.93 HG12 ' CE1' ' A' ' 29' ' ' TYR . 88.0 t -114.69 118.79 59.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 N-CA-C 108.531 -0.915 . . . . 0.54000000000000004 108.531 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 1.209 ' SG ' ' CB ' ' A' ' 11' ' ' CYS . 12.9 m -115.62 162.75 16.79 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.902 -1.124 . . . . 0.38 112.394 -177.17 -45.935 -114.816 107.235 104.158 2.015 102.992 -72.718 -71.1 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 1.246 ' CG ' HG22 ' A' ' 34' ' ' ILE . 68.0 m-85 -149.24 170.11 19.22 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 115.75 -0.659 . . . . 0.34999999999999998 109.399 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 1.139 ' CA ' ' HD2' ' A' ' 16' ' ' LYS . 4.1 p-10 -79.7 -41.36 26.92 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 120.728 -1.233 . . . . 1.1899999999999999 110.415 178.245 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . 1.062 ' HB2' HG13 ' A' ' 34' ' ' ILE . 2.1 m -78.51 98.32 6.04 Favored 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 108.093 -1.077 . . . . 0.46000000000000002 108.093 178.553 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.95 ' O ' ' HB3' ' A' ' 35' ' ' CYS . 15.5 ptpt -37.66 -38.2 0.26 Allowed 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 105.702 -1.962 . . . . 1.73 105.702 -178.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.629 ' N ' ' HG3' ' A' ' 32' ' ' LYS . . . -56.1 -44.96 79.55 Favored 'General case' 0 C--O 1.194 -1.824 0 N-CA-C 107.808 -1.182 . . . . 0.57999999999999996 107.808 176.313 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.246 HG22 ' CG ' ' A' ' 29' ' ' TYR . 2.5 mt -55.82 -24.1 16.24 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.01 0 O-C-N 120.33 -1.482 . . . . 0.35999999999999999 108.917 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 1.371 ' O ' ' CB ' ' A' ' 39' ' ' CYS . 42.1 t -62.52 -72.98 0.11 Allowed 'General case' 0 C--N 1.282 -2.36 0 N-CA-C 106.724 -1.584 . . . . 0.51000000000000001 106.724 177.2 175.914 -166.501 115.935 104.573 2.024 104.936 99.207 -165.903 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.637 ' OD1' ' HB2' ' A' ' 5' ' ' CYS . 3.9 m-20 -54.95 -52.97 61.34 Favored 'General case' 0 N--CA 1.503 2.185 0 C-N-CA 119.709 -0.796 . . . . 2.21 110.559 178.212 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.825 ' O ' ' OG1' ' A' ' 40' ' ' THR . 0.2 OUTLIER -59.05 -80.74 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 113.012 0.745 . . . . 1.24 113.012 -179.075 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.764 ' N ' ' CD ' ' A' ' 37' ' ' LYS . 16.2 m120 -60.48 -36.96 79.53 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-O 121.975 0.893 . . . . 0.55000000000000004 109.882 -179.189 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 1.371 ' CB ' ' O ' ' A' ' 35' ' ' CYS . 31.6 m -51.19 -28.88 12.36 Favored 'General case' 0 C--N 1.289 -2.023 0 C-N-CA 119.081 -1.048 . . . . 0.79000000000000004 110.39 179.73 -78.624 -105.749 -69.071 102.873 2.015 103.046 -157.498 41.477 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.825 ' OG1' ' O ' ' A' ' 37' ' ' LYS . 8.8 p . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 118.024 -0.989 . . . . 1.48 110.166 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.583 ' O ' ' OD1' ' A' ' 2' ' ' ASP . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.243 0.544 . . . . 4.44 110.262 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.749 ' HA ' HG22 ' A' ' 40' ' ' THR . 1.4 m-20 -155.94 -177.75 6.8 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.337 -0.852 . . . . 2.83 110.116 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 166.11 -158.99 32.14 Favored Glycine 0 N--CA 1.491 2.317 0 C-N-CA 120.003 -1.094 . . . . 0.78 110.478 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.5 mt -127.68 -179.68 5.06 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.452 -1.028 . . . . 0.5 109.611 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.637 ' HB2' ' OD1' ' A' ' 36' ' ' ASN . 13.1 t -140.89 152.71 45.28 Favored 'General case' 0 N--CA 1.504 2.241 0 O-C-N 120.615 -1.303 . . . . 0.61 110.714 179.814 -165.903 99.207 115.935 104.936 2.024 104.573 -166.501 175.914 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.998 ' CE1' ' NZ ' ' A' ' 13' ' ' LYS . 24.7 p90 -134.33 165.56 24.86 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.176 -1.046 . . . . 0.51 108.176 179.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -121.55 144.19 48.86 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 117.933 -1.507 . . . . 1.25 111.083 -178.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 153.54 -121.43 1.15 Allowed Glycine 0 N--CA 1.485 1.925 0 C-N-CA 120.308 -0.949 . . . . 0.26 110.782 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.828 HG22 ' O ' ' A' ' 9' ' ' THR 0.273 23.5 m -155.48 23.74 0.41 Allowed 'General case' 0 N--CA 1.485 1.297 0 O-C-N 121.208 -1.172 . . . . 0.4 111.045 -178.257 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.646 ' HB3' ' OH ' ' A' ' 6' ' ' TYR . 18.2 t30 -74.06 -7.96 54.39 Favored 'General case' 0 N--CA 1.505 2.278 0 O-C-N 120.406 -1.433 . . . . 0.58 113.007 -177.008 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 1.328 ' HB2' ' SG ' ' A' ' 18' ' ' CYS . 34.7 m -124.91 25.45 7.34 Favored 'General case' 0 C--N 1.281 -2.372 0 CA-C-O 122.183 0.992 . . . . 0.5 109.271 178.433 -77.976 -56.546 -126.757 103.178 2.024 105.171 14.132 -160.209 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.45 9.71 84.52 Favored Glycine 0 C--N 1.287 -2.168 0 C-N-CA 118.881 -1.628 . . . . 0.61 109.495 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 1.274 ' HD2' ' C ' ' A' ' 17' ' ' TYR . 0.5 OUTLIER -88.7 57.29 4.11 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-O 122.469 1.128 . . . . 2.01 109.848 -179.536 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.682 HG23 HG23 ' A' ' 9' ' ' THR . 24.1 t -66.63 111.38 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.119 0 CA-C-N 115.034 -0.985 . . . . 0.49 108.737 179.018 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.02 -27.06 22.34 Favored Glycine 0 N--CA 1.494 2.511 0 N-CA-C 109.406 -1.478 . . . . 0.32 109.406 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 1.139 ' HD2' ' CA ' ' A' ' 30' ' ' ASP . 53.7 mtmt -109.62 -132.41 0.32 Allowed 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.899 -1.354 . . . . 1.39 108.956 178.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 1.274 ' C ' ' HD2' ' A' ' 13' ' ' LYS . 14.9 m-85 -150.17 177.14 10.19 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 119.873 -1.767 . . . . 0.38 110.022 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 1.328 ' SG ' ' HB2' ' A' ' 11' ' ' CYS . 76.7 m -137.41 159.64 41.37 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.402 -1.436 . . . . 0.3 110.545 -179.247 -71.1 -72.718 107.235 102.992 2.015 104.158 -114.816 -45.935 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.984 ' HB3' ' SG ' ' A' ' 35' ' ' CYS . 1.8 p -137.64 121.47 17.59 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.338 -0.851 . . . . 0.51 111.588 -179.014 41.477 -157.498 -69.071 103.046 2.015 102.873 -105.749 -78.624 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.741 ' HB3' ' H ' ' A' ' 26' ' ' CYS . 3.0 p -165.72 119.13 0.89 Allowed Pre-proline 0 N--CA 1.502 2.126 0 N-CA-C 108.607 -0.886 . . . . 0.58 108.607 178.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.483 ' HD2' ' HD2' ' A' ' 25' ' ' TYR . 45.4 Cg_endo -76.84 6.79 3.93 Favored 'Trans proline' 0 C--N 1.303 -1.842 0 O-C-N 123.642 1.338 . . . . 0.87 110.941 -179.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 1.019 HG21 ' HD2' ' A' ' 24' ' ' LYS . 1.5 tt -165.43 10.51 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.019 0 CA-C-O 122.367 1.08 . . . . 1.6 109.723 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.78 10.3 80.05 Favored Glycine 0 C--N 1.279 -2.636 0 N-CA-C 108.301 -1.92 . . . . 0.96 108.301 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 1.019 ' HD2' HG21 ' A' ' 22' ' ' ILE . 2.9 ptmt -85.1 -34.8 22.13 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.807 -0.82 . . . . 1.8 110.907 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.704 ' O ' HG23 ' A' ' 27' ' ' VAL . 49.0 m-85 -85.76 -35.76 20.56 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.085 -1.009 . . . . 1.5 110.541 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.741 ' H ' ' HB3' ' A' ' 20' ' ' SER . 6.6 t 32.42 62.2 0.32 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.045 -1.034 . . . . 0.49 109.331 -179.528 -160.209 14.132 -126.757 105.171 2.024 103.178 -56.546 -77.976 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.93 HG12 ' CE1' ' A' ' 29' ' ' TYR . 88.0 t -114.69 118.79 59.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 N-CA-C 108.531 -0.915 . . . . 0.54 108.531 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 1.209 ' SG ' ' CB ' ' A' ' 11' ' ' CYS . 12.9 m -115.62 162.75 16.79 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.902 -1.124 . . . . 0.38 112.394 -177.17 -45.935 -114.816 107.235 104.158 2.015 102.992 -72.718 -71.1 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 1.246 ' CG ' HG22 ' A' ' 34' ' ' ILE . 68.0 m-85 -149.24 170.11 19.22 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 115.75 -0.659 . . . . 0.35 109.399 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 1.139 ' CA ' ' HD2' ' A' ' 16' ' ' LYS . 4.1 p-10 -79.7 -41.36 26.92 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 120.728 -1.233 . . . . 1.19 110.415 178.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 1.062 ' HB2' HG13 ' A' ' 34' ' ' ILE . 2.1 m -78.51 98.32 6.04 Favored 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 108.093 -1.077 . . . . 0.46 108.093 178.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.95 ' O ' ' HB3' ' A' ' 35' ' ' CYS . 15.5 ptpt -37.66 -38.2 0.26 Allowed 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 105.702 -1.962 . . . . 1.73 105.702 -178.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.629 ' N ' ' HG3' ' A' ' 32' ' ' LYS . . . -56.1 -44.96 79.55 Favored 'General case' 0 C--O 1.194 -1.824 0 N-CA-C 107.808 -1.182 . . . . 0.58 107.808 176.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.246 HG22 ' CG ' ' A' ' 29' ' ' TYR . 2.5 mt -55.82 -24.1 16.24 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.01 0 O-C-N 120.33 -1.482 . . . . 0.36 108.917 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 1.371 ' O ' ' CB ' ' A' ' 39' ' ' CYS . 42.1 t -62.52 -72.98 0.11 Allowed 'General case' 0 C--N 1.282 -2.36 0 N-CA-C 106.724 -1.584 . . . . 0.51 106.724 177.2 175.914 -166.501 115.935 104.573 2.024 104.936 99.207 -165.903 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.637 ' OD1' ' HB2' ' A' ' 5' ' ' CYS . 3.9 m-20 -54.95 -52.97 61.34 Favored 'General case' 0 N--CA 1.503 2.185 0 C-N-CA 119.709 -0.796 . . . . 2.21 110.559 178.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.884 ' HD2' ' ND2' ' A' ' 38' ' ' ASN . 0.2 OUTLIER -59.05 -80.74 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 113.012 0.745 . . . . 1.24 113.012 -179.075 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.884 ' ND2' ' HD2' ' A' ' 37' ' ' LYS . 54.4 m-80 -60.48 -36.96 79.53 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-O 121.975 0.893 . . . . 0.55 109.882 -179.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 1.371 ' CB ' ' O ' ' A' ' 35' ' ' CYS . 31.6 m -51.19 -28.88 12.36 Favored 'General case' 0 C--N 1.289 -2.023 0 C-N-CA 119.081 -1.048 . . . . 0.79 110.39 179.73 -78.624 -105.749 -69.071 102.873 2.015 103.046 -157.498 41.477 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.825 ' OG1' ' O ' ' A' ' 37' ' ' LYS . 8.8 p . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 118.024 -0.989 . . . . 1.48 110.166 -179.751 . . . . . . . . 1 1 . 1 stop_ save_