data_1imo_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 1imo _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 ' 835' ' ' GLY . . . . . 1.352 ' N ' ' C ' ' A' ' 835' ' ' GLY . . . . . . . . 3 N--CA 0.565 -59.417 2 N-CA-C 139.823 10.689 . . . . 3.2400000000000002 139.823 . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 836' ' ' SER . . . . . 1.299 ' OG ' ' CA ' ' A' ' 836' ' ' SER . 73.8 m -92.74 -53.2 4.27 Favored 'General case' 3 C--N 0.872 -20.167 3 O-C-N 92.981 -17.776 . . . . 2.04 112.874 -179.976 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . 0.999 ' HB3' ' CA ' ' A' ' 837' ' ' ALA . . . -36.44 -62.55 0.45 Allowed 'General case' 0 C--N 1.263 -3.166 0 O-C-N 119.481 -2.012 . . . . 1.3500000000000001 109.903 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 838' ' ' ASP . . . . . 1.209 ' CG ' ' CA ' ' A' ' 838' ' ' ASP . 0.6 OUTLIER -50.26 -29.7 10.17 Favored 'General case' 0 C--O 1.191 -2.019 0 CA-C-O 121.016 0.436 . . . . 2.7400000000000002 109.891 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . 1.222 ' OE2' ' CG ' ' A' ' 839' ' ' GLU . 0.1 OUTLIER -86.31 -22.8 26.55 Favored 'General case' 0 C--N 1.294 -1.839 0 O-C-N 121.489 -0.757 . . . . 2.3300000000000001 110.438 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 840' ' ' THR . . . . . 1.494 HG21 ' CB ' ' A' ' 840' ' ' THR . 3.4 m -99.19 -61.91 1.31 Allowed 'General case' 0 C--O 1.191 -2.0 0 O-C-N 121.902 -0.499 . . . . 1.6000000000000001 109.972 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 841' ' ' LEU . . . . . 1.607 HD23 ' CG ' ' A' ' 841' ' ' LEU . 0.2 OUTLIER -62.74 -4.21 1.94 Allowed 'General case' 0 C--N 1.29 -1.985 0 N-CA-C 109.518 -0.549 . . . . 1.8799999999999999 109.518 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 842' ' ' CYS . . . . . 1.089 ' HG ' ' CB ' ' A' ' 842' ' ' CYS . 40.6 t -55.15 -9.19 0.37 Allowed 'General case' 0 N--CA 1.414 -2.263 0 O-C-N 123.735 0.647 . . . . 1.6499999999999999 109.462 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 843' ' ' GLN . . . . . 0.563 ' HB2' ' CG1' ' A' ' 846' ' ' VAL . 0.2 OUTLIER -108.92 61.16 0.6 Allowed 'General case' 0 C--O 1.18 -2.553 0 CA-C-O 122.353 1.073 . . . . 1.75 110.142 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 844' ' ' THR . . . . . 1.083 HG22 ' CB ' ' A' ' 844' ' ' THR . 0.3 OUTLIER 61.13 -51.24 0.11 Allowed 'General case' 1 C--O 0.7 -27.86 0 O-C-N 120.325 -1.485 . . . . 2.02 112.33 179.932 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 845' ' ' LYS . . . . . 1.621 ' HD3' ' CG ' ' A' ' 845' ' ' LYS . 0.0 OUTLIER -172.03 -5.78 0.01 OUTLIER 'General case' 1 C--N 1.09 -10.694 3 O-C-N 100.822 -13.674 . . . . 2.4500000000000002 108.975 -179.942 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' A' A ' 846' ' ' VAL . . . . . 1.52 HG23 ' CB ' ' A' ' 846' ' ' VAL . 26.9 m 37.61 -126.64 0.02 OUTLIER 'Isoleucine or valine' 1 C--O 0.532 -36.66 1 CA-C-O 148.667 13.604 . . . . 1.9199999999999999 109.435 -179.947 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 847' ' ' LEU . . . . . 1.344 ' CD2' ' O ' ' A' ' 846' ' ' VAL . 0.1 OUTLIER 117.35 -142.52 0.0 OUTLIER 'General case' 2 C--O 0.434 -41.837 4 O-C-N 53.564 -43.21 . . . . 1.79 109.85 -179.912 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' A' A ' 848' ' ' LEU . . . . . 1.3 ' CA ' ' O ' ' A' ' 847' ' ' LEU . 2.7 mt 128.0 173.43 0.0 OUTLIER 'General case' 1 C--N 0.79 -23.747 3 O-C-N 4.888 -73.632 . . . . 1.5700000000000001 109.754 179.631 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 849' ' ' ASP . . . . . 1.115 ' CG ' ' CA ' ' A' ' 849' ' ' ASP . 0.0 OUTLIER -79.53 51.91 1.32 Allowed 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 109.87 -0.419 . . . . 2.3199999999999998 109.87 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 850' ' ' ILE . . . . . 1.567 ' CD1' ' HA ' ' A' ' 913' ' ' ILE . 0.1 OUTLIER -76.78 -92.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.212 -0.911 0 N-CA-C 109.923 -0.399 . . . . 1.29 109.923 179.896 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 851' ' ' PHE . . . . . 1.346 ' CG ' ' CE1' ' A' ' 851' ' ' PHE . 9.6 m-85 -59.66 28.32 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 109.932 -0.396 . . . . 2.0099999999999998 109.932 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 852' ' ' THR . . . . . 1.154 HG23 ' CB ' ' A' ' 852' ' ' THR . 0.5 OUTLIER -36.84 107.09 0.05 Allowed 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 109.974 -0.38 . . . . 1.46 109.974 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 853' ' ' GLY . . . . . . . . . . . . . . . 65.59 14.03 59.62 Favored Glycine 1 C--O 1.12 -6.987 0 N-CA-C 110.54 -1.024 . . . . 0.93000000000000005 110.54 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 854' ' ' VAL . . . . . 1.396 ' CG2' ' HG ' ' A' ' 918' ' ' LEU . 4.5 t -85.99 111.33 20.97 Favored 'Isoleucine or valine' 0 C--N 1.251 -3.69 0 O-C-N 118.133 -2.98 . . . . 1.25 109.744 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 855' ' ' ARG . . . . . 1.16 ' C ' ' HB2' ' A' ' 890' ' ' HIS . 5.9 ptp180 -96.21 82.28 3.43 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.565 -0.709 . . . . 2.8599999999999999 110.918 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . 1.426 HD21 ' CG ' ' A' ' 856' ' ' LEU . 0.0 OUTLIER -99.53 133.92 43.16 Favored 'General case' 0 N--CA 1.432 -1.326 0 N-CA-C 110.384 -0.228 . . . . 1.55 110.384 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 857' ' ' TYR . . . . . 1.382 ' CG ' ' CE1' ' A' ' 857' ' ' TYR . 0.1 OUTLIER -77.27 101.18 6.14 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 109.784 -0.45 . . . . 2.1499999999999999 109.784 -179.909 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 858' ' ' LEU . . . . . 1.164 ' CD2' ' HB3' ' A' ' 868' ' ' LEU . 0.2 OUTLIER -81.47 111.97 29.85 Favored Pre-proline 0 N--CA 1.448 -0.543 0 N-CA-C 109.813 -0.44 . . . . 1.1200000000000001 109.813 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 859' ' ' PRO . . . . . 0.873 ' HD2' ' CD1' ' A' ' 858' ' ' LEU . 85.2 Cg_endo -72.48 146.51 44.58 Favored 'Trans proline' 0 N--CA 1.442 -1.54 0 C-N-CA 124.358 3.372 . . . . 0.56000000000000005 109.581 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 860' ' ' PRO . . . . . 0.426 ' HA ' ' CD2' ' A' ' 865' ' ' PHE . 84.1 Cg_endo -72.3 -21.78 22.78 Favored 'Trans proline' 0 N--CA 1.444 -1.43 0 C-N-CA 124.222 3.281 . . . . 0.81999999999999995 109.672 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 861' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.13 -13.72 59.05 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 109.929 -0.397 . . . . 1.1100000000000001 109.929 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 862' ' ' THR . . . . . 1.073 HG23 ' CB ' ' A' ' 862' ' ' THR . 0.7 OUTLIER -67.43 142.43 96.46 Favored Pre-proline 0 N--CA 1.445 -0.681 0 N-CA-C 110.067 -0.346 . . . . 1.22 110.067 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 863' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -72.39 144.09 40.26 Favored 'Trans proline' 0 N--CA 1.444 -1.384 0 C-N-CA 124.452 3.434 . . . . 0.66000000000000003 109.64 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 864' ' ' ASP . . . . . 1.049 ' OD1' ' CB ' ' A' ' 864' ' ' ASP . 0.2 OUTLIER 68.98 11.84 8.45 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 109.837 -0.431 . . . . 1.3500000000000001 109.837 -179.871 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 865' ' ' PHE . . . . . 1.34 ' CZ ' ' CD1' ' A' ' 865' ' ' PHE . 28.8 t80 -43.51 -50.52 7.1 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.866 -0.42 . . . . 2.1000000000000001 109.866 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 866' ' ' SER . . . . . 1.662 ' HG ' ' CB ' ' A' ' 866' ' ' SER . 2.9 t -28.31 -67.81 0.07 Allowed 'General case' 0 C--O 1.188 -2.172 0 N-CA-C 110.128 -0.323 . . . . 1.7 110.128 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 867' ' ' ARG . . . . . 1.618 ' HE ' ' CD ' ' A' ' 867' ' ' ARG . 0.0 OUTLIER -75.39 -48.31 23.5 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.45 -0.781 . . . . 3.2000000000000002 109.874 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 868' ' ' LEU . . . . . 1.164 ' HB3' ' CD2' ' A' ' 858' ' ' LEU . 2.6 mt -32.19 -49.65 0.2 Allowed 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 110.006 -0.368 . . . . 1.25 110.006 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 869' ' ' ARG . . . . . 0.427 ' O ' ' CG1' ' A' ' 873' ' ' VAL . 2.4 ttp85 -66.33 -85.68 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 109.711 -0.477 . . . . 2.4300000000000002 109.711 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 870' ' ' ARG . . . . . 1.568 ' HD3' ' CG ' ' A' ' 870' ' ' ARG . 0.0 OUTLIER -38.52 -50.53 1.56 Allowed 'General case' 0 C--O 1.195 -1.789 0 N-CA-C 109.819 -0.437 . . . . 4.7999999999999998 109.819 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 871' ' ' TYR . . . . . 1.425 ' CG ' ' CE2' ' A' ' 871' ' ' TYR . 17.9 t80 -51.16 -66.93 0.3 Allowed 'General case' 0 C--N 1.309 -1.176 0 O-C-N 121.681 -0.637 . . . . 2.3300000000000001 109.845 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 872' ' ' PHE . . . . . 1.421 ' CG ' ' CE1' ' A' ' 872' ' ' PHE . 15.2 t80 -45.55 -90.92 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 109.936 -0.394 . . . . 2.2200000000000002 109.936 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . 1.015 HG22 ' CB ' ' A' ' 873' ' ' VAL . 0.1 OUTLIER -31.54 -35.65 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 N-CA-C 109.75 -0.463 . . . . 1.24 109.75 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . 0.982 ' HB1' ' CA ' ' A' ' 874' ' ' ALA . . . -59.18 -56.09 26.67 Favored 'General case' 0 C--O 1.216 -0.683 0 N-CA-C 109.754 -0.461 . . . . 1.29 109.754 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 875' ' ' PHE . . . . . 1.36 ' CZ ' ' CD2' ' A' ' 875' ' ' PHE . 10.8 m-30 -35.63 -46.65 0.43 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.818 -0.438 . . . . 2.2000000000000002 109.818 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 876' ' ' ASP . . . . . 0.984 ' OD1' ' CB ' ' A' ' 876' ' ' ASP . 5.7 m-20 146.74 11.12 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 109.862 -0.422 . . . . 1.4299999999999999 109.862 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 877' ' ' GLY . . . . . . . . . . . . . . . -94.85 -142.5 12.77 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 110.367 -1.093 . . . . 0.57999999999999996 110.367 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 878' ' ' ASP . . . . . 1.193 ' OD2' ' CB ' ' A' ' 878' ' ' ASP . 11.1 m-20 -158.12 156.39 30.85 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 109.955 -0.387 . . . . 1.6200000000000001 109.955 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 879' ' ' LEU . . . . . 1.627 HD13 ' CG ' ' A' ' 879' ' ' LEU . 2.8 mt -131.21 125.98 34.37 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 109.972 -0.381 . . . . 1.8799999999999999 109.972 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 880' ' ' VAL . . . . . 1.0 HG12 ' CB ' ' A' ' 880' ' ' VAL . 0.0 OUTLIER -108.57 143.2 19.32 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.42 0 N-CA-C 109.763 -0.458 . . . . 1.1299999999999999 109.763 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 881' ' ' GLN . . . . . 1.318 HE21 ' CG ' ' A' ' 881' ' ' GLN . 11.9 mt-30 -70.79 132.78 45.83 Favored 'General case' 0 C--N 1.314 -0.944 0 O-C-N 121.878 -0.514 . . . . 2.1800000000000002 109.863 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 882' ' ' GLU . . . . . 1.03 ' OE2' ' CG ' ' A' ' 882' ' ' GLU . 7.8 tt0 -26.6 -69.38 0.04 OUTLIER 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 110.039 -0.356 . . . . 1.3100000000000001 110.039 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 883' ' ' PHE . . . . . 1.416 ' CG ' ' CE2' ' A' ' 883' ' ' PHE . 28.7 p90 -66.2 14.81 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 109.853 -0.425 . . . . 2.3999999999999999 109.853 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 884' ' ' ASP . . . . . 0.989 ' OD2' ' CB ' ' A' ' 884' ' ' ASP . 85.8 m-20 -145.44 91.62 2.14 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 109.776 -0.453 . . . . 1.23 109.776 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 885' ' ' MET . . . . . 1.682 ' SD ' ' HB2' ' A' ' 897' ' ' LYS . 1.4 ptp -146.71 -39.18 0.21 Allowed 'General case' 0 C--O 1.212 -0.896 0 N-CA-C 109.808 -0.442 . . . . 1.1100000000000001 109.808 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 886' ' ' THR . . . . . 0.714 ' C ' ' O ' ' A' ' 885' ' ' MET . 7.3 p -5.24 -52.04 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.839 -0.43 . . . . 0.98999999999999999 109.839 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 887' ' ' SER . . . . . 0.936 ' N ' ' O ' ' A' ' 885' ' ' MET . 0.4 OUTLIER -95.45 -13.91 24.19 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 109.874 -0.417 . . . . 1.0800000000000001 109.874 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 888' ' ' ALA . . . . . 1.17 ' N ' ' O ' ' A' ' 885' ' ' MET . . . -46.56 -177.01 0.0 OUTLIER 'General case' 0 C--O 1.212 -0.911 0 N-CA-C 109.841 -0.429 . . . . 1.02 109.841 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 889' ' ' THR . . . . . 1.132 HG23 ' CG ' ' A' ' 855' ' ' ARG . 0.6 OUTLIER -133.44 -42.01 0.86 Allowed 'General case' 0 C--N 1.312 -1.022 0 O-C-N 121.979 -0.451 . . . . 1.1799999999999999 110.191 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 890' ' ' HIS . . . . . 1.16 ' HB2' ' C ' ' A' ' 855' ' ' ARG . 17.0 m80 -124.85 159.99 29.81 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 110.083 -0.34 . . . . 0.89000000000000001 110.083 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 891' ' ' VAL . . . . . 0.982 HG11 ' CB ' ' A' ' 891' ' ' VAL . 6.5 m -148.49 125.49 2.73 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.705 0 N-CA-C 109.736 -0.468 . . . . 1.1200000000000001 109.736 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 892' ' ' LEU . . . . . 1.015 HD22 ' CG ' ' A' ' 892' ' ' LEU . 0.1 OUTLIER -79.22 123.8 27.75 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 109.716 -0.476 . . . . 1.1899999999999999 109.716 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 893' ' ' GLY . . . . . . . . . . . . . . . 60.28 101.87 0.01 OUTLIER Glycine 2 C--O 0.759 -29.535 0 CA-C-O 116.181 -2.455 . . . . 1.1899999999999999 112.845 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 894' ' ' SER . . . . . 1.213 ' HG ' ' CB ' ' A' ' 894' ' ' SER . 58.0 m 85.6 172.15 0.06 Allowed 'General case' 1 C--N 1.147 -8.204 3 CA-C-N 137.93 10.865 . . . . 1.45 110.612 179.91 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 895' ' ' ARG . . . . . 0.86 ' O ' ' N ' ' A' ' 898' ' ' ASN . 10.6 ptt180 -141.99 -32.31 0.52 Allowed 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 109.773 -0.454 . . . . 2.5600000000000001 109.773 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 896' ' ' ASP . . . . . 1.314 ' OD1' ' CB ' ' A' ' 896' ' ' ASP . 0.1 OUTLIER -13.47 -77.99 0.0 OUTLIER 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.805 -0.443 . . . . 1.74 109.805 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 897' ' ' LYS . . . . . 1.682 ' HB2' ' SD ' ' A' ' 885' ' ' MET . 0.0 OUTLIER -31.38 -34.13 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 109.926 -0.398 . . . . 1.1100000000000001 109.926 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 898' ' ' ASN . . . . . 0.985 ' CB ' ' HB2' ' A' ' 885' ' ' MET . 6.2 t30 -158.91 97.44 1.69 Allowed Pre-proline 0 N--CA 1.448 -0.572 0 N-CA-C 109.937 -0.394 . . . . 1.1899999999999999 109.937 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 899' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 898' ' ' ASN . 83.4 Cg_endo -72.44 -11.69 26.69 Favored 'Trans proline' 0 N--CA 1.444 -1.389 0 C-N-CA 124.255 3.303 . . . . 0.57999999999999996 109.602 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 900' ' ' ALA . . . . . 0.965 ' HB2' ' CA ' ' A' ' 900' ' ' ALA . . . -88.16 -2.43 58.6 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 109.766 -0.457 . . . . 1.1899999999999999 109.766 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 901' ' ' ALA . . . . . 0.98 ' HB1' ' CA ' ' A' ' 901' ' ' ALA . . . -94.71 -165.22 1.27 Allowed 'General case' 1 C--O 1.149 -4.223 0 CA-C-O 121.052 0.453 . . . . 1.04 109.97 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 902' ' ' GLN . . . . . 0.854 ' H ' ' HA ' ' A' ' 890' ' ' HIS . 4.7 mm100 -116.39 131.67 56.88 Favored 'General case' 0 C--N 1.273 -2.731 0 O-C-N 119.346 -2.096 . . . . 0.81000000000000005 109.898 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 903' ' ' GLN . . . . . 0.75 ' NE2' ' HB3' ' A' ' 895' ' ' ARG . 2.3 mt-30 -88.24 68.54 9.02 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 109.979 -0.378 . . . . 1.96 109.979 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 904' ' ' VAL . . . . . 0.983 HG13 ' CB ' ' A' ' 904' ' ' VAL . 1.6 m -86.38 173.27 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 N-CA-C 109.825 -0.435 . . . . 1.1000000000000001 109.825 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 905' ' ' SER . . . . . 1.053 ' OG ' ' HD2' ' A' ' 906' ' ' PRO . 26.7 t -128.04 -170.43 0.21 Allowed Pre-proline 0 N--CA 1.446 -0.635 0 N-CA-C 109.903 -0.406 . . . . 1.9099999999999999 109.903 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 906' ' ' PRO . . . . . 1.053 ' HD2' ' OG ' ' A' ' 905' ' ' SER . 82.8 Cg_endo -72.48 -29.27 13.7 Favored 'Trans proline' 0 N--CA 1.444 -1.413 0 C-N-CA 124.325 3.35 . . . . 0.64000000000000001 109.657 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 907' ' ' GLU . . . . . 0.428 ' HA ' ' HD1' ' A' ' 910' ' ' TRP . 0.3 OUTLIER -71.92 -27.26 62.7 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 109.957 -0.386 . . . . 2.3900000000000001 109.957 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 908' ' ' TRP . . . . . 1.036 ' HH2' ' CG1' ' A' ' 854' ' ' VAL . 84.7 t90 -66.66 -49.94 64.54 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 109.866 -0.42 . . . . 0.48999999999999999 109.866 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 909' ' ' ILE . . . . . 1.161 ' CG1' ' CZ ' ' A' ' 851' ' ' PHE . 0.7 OUTLIER -51.12 -52.21 19.25 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 N-CA-C 109.84 -0.43 . . . . 1.0600000000000001 109.84 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 910' ' ' TRP . . . . . 0.55 ' CD1' ' O ' ' A' ' 906' ' ' PRO . 20.5 m95 -59.02 -62.4 1.91 Allowed 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.945 -0.391 . . . . 0.65000000000000002 109.945 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 911' ' ' ALA . . . . . 0.987 ' HB3' ' CA ' ' A' ' 911' ' ' ALA . . . -51.86 -35.71 45.82 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 109.84 -0.43 . . . . 1.22 109.84 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 912' ' ' CYS . . . . . 1.348 ' HG ' ' CB ' ' A' ' 912' ' ' CYS . 93.6 m -71.17 -69.87 0.35 Allowed 'General case' 0 C--O 1.189 -2.123 0 N-CA-C 109.467 -0.568 . . . . 1.8600000000000001 109.467 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 913' ' ' ILE . . . . . 1.592 HG22 ' CB ' ' A' ' 913' ' ' ILE . 17.1 tt -43.7 -43.64 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.723 0 O-C-N 121.183 -0.948 . . . . 2.0899999999999999 110.732 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 914' ' ' ARG . . . . . 1.581 HH21 ' CZ ' ' A' ' 914' ' ' ARG . 0.3 OUTLIER -68.96 -34.75 75.84 Favored 'General case' 0 C--O 1.174 -2.894 0 N-CA-C 109.655 -0.498 . . . . 3.8199999999999998 109.655 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 915' ' ' LYS . . . . . 1.497 ' HZ2' ' CE ' ' A' ' 915' ' ' LYS . 9.5 mmtp -80.0 -8.77 59.53 Favored 'General case' 0 C--N 1.306 -1.287 0 C-N-CA 123.68 0.792 . . . . 1.8 109.969 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 916' ' ' ARG . . . . . 1.552 ' CZ ' ' CG ' ' A' ' 916' ' ' ARG . 0.2 OUTLIER 61.91 2.24 0.74 Allowed 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 109.716 -0.476 . . . . 4.6299999999999999 109.716 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 917' ' ' ARG . . . . . 1.441 ' HD2' ' CB ' ' A' ' 917' ' ' ARG . 0.0 OUTLIER -146.57 126.41 13.53 Favored 'General case' 0 C--O 1.184 -2.367 0 CA-C-O 121.293 0.568 . . . . 4.6500000000000004 109.992 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 918' ' ' LEU . . . . . 1.396 ' HG ' ' CG2' ' A' ' 854' ' ' VAL . 0.3 OUTLIER -41.47 125.27 2.61 Favored 'General case' 0 C--N 1.289 -2.065 0 O-C-N 120.744 -1.223 . . . . 1.27 109.878 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 919' ' ' VAL . . . . . 1.001 HG13 ' CB ' ' A' ' 919' ' ' VAL . 0.7 OUTLIER -99.64 -164.95 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.692 0 N-CA-C 109.716 -0.476 . . . . 1.24 109.716 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 920' ' ' ALA . . . . . 0.99 ' HB1' ' CA ' ' A' ' 920' ' ' ALA . . . -69.14 113.54 17.25 Favored Pre-proline 0 N--CA 1.448 -0.558 0 N-CA-C 109.786 -0.45 . . . . 1.3899999999999999 109.786 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 921' ' ' PRO . . . . . 0.668 ' HA ' ' CD1' ' A' ' 908' ' ' TRP . 84.3 Cg_endo -72.39 129.88 15.45 Favored 'Trans proline' 0 N--CA 1.444 -1.404 0 C-N-CA 124.339 3.359 . . . . 0.65000000000000002 109.638 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 922' ' ' CYS . . . . . 1.673 ' HG ' ' CB ' ' A' ' 922' ' ' CYS 0.757 13.0 t . . . . . 2 CA--C 0.881 -24.783 2 CA-C-O 144.997 11.856 . . . . 2.8199999999999998 125.874 -179.969 . . . . . . . . 4 2 . 1 . 001 nuclear build full ' A' A ' 835' ' ' GLY . . . . . 1.352 ' N ' ' C ' ' A' ' 835' ' ' GLY . . . . . . . . 3 N--CA 0.565 -59.417 2 N-CA-C 139.823 10.689 . . . . 2.99 139.823 . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 836' ' ' SER . . . . . 1.299 ' OG ' ' CA ' ' A' ' 836' ' ' SER . 73.8 m -92.74 -53.2 4.27 Favored 'General case' 3 C--N 0.872 -20.167 3 O-C-N 92.981 -17.776 . . . . 1.76 112.874 -179.976 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 837' ' ' ALA . . . . . 0.515 ' O ' ' N ' ' A' ' 841' ' ' LEU . . . -36.44 -62.55 0.45 Allowed 'General case' 0 C--N 1.263 -3.166 0 O-C-N 119.481 -2.012 . . . . 0.82 109.903 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 838' ' ' ASP . . . . . 1.209 ' CG ' ' CA ' ' A' ' 838' ' ' ASP . 0.6 OUTLIER -50.26 -29.7 10.17 Favored 'General case' 0 C--O 1.191 -2.019 0 CA-C-O 121.016 0.436 . . . . 2.74 109.891 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 839' ' ' GLU . . . . . 1.222 ' OE2' ' CG ' ' A' ' 839' ' ' GLU . 0.1 OUTLIER -86.31 -22.8 26.55 Favored 'General case' 0 C--N 1.294 -1.839 0 O-C-N 121.489 -0.757 . . . . 2.33 110.438 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 840' ' ' THR . . . . . 0.626 ' O ' HG11 ' A' ' 846' ' ' VAL . 3.4 m -99.19 -61.91 1.31 Allowed 'General case' 0 C--O 1.191 -2.0 0 O-C-N 121.902 -0.499 . . . . 1.36 109.972 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 841' ' ' LEU . . . . . 0.971 HD11 ' HE2' ' A' ' 845' ' ' LYS . 0.2 OUTLIER -62.74 -4.21 1.94 Allowed 'General case' 0 C--N 1.29 -1.985 0 N-CA-C 109.518 -0.549 . . . . 1.29 109.518 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 842' ' ' CYS . . . . . 0.945 ' HB2' ' O ' ' A' ' 838' ' ' ASP . 40.6 t -55.15 -9.19 0.37 Allowed 'General case' 0 N--CA 1.414 -2.263 0 O-C-N 123.735 0.647 . . . . 1.36 109.462 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 843' ' ' GLN . . . . . 0.733 ' HB2' HG12 ' A' ' 846' ' ' VAL . 0.2 OUTLIER -108.92 61.16 0.6 Allowed 'General case' 0 C--O 1.18 -2.553 0 CA-C-O 122.353 1.073 . . . . 1.4 110.142 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 844' ' ' THR . . . . . 0.586 HG22 ' N ' ' A' ' 845' ' ' LYS . 0.3 OUTLIER 61.13 -51.24 0.11 Allowed 'General case' 1 C--O 0.7 -27.86 0 O-C-N 120.325 -1.485 . . . . 1.58 112.33 179.932 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 845' ' ' LYS . . . . . 1.018 ' O ' ' HE1' ' A' ' 871' ' ' TYR . 0.0 OUTLIER -172.03 -5.78 0.01 OUTLIER 'General case' 1 C--N 1.09 -10.694 3 O-C-N 100.822 -13.674 . . . . 1.99 108.975 -179.942 . . . . . . . . 5 4 . 1 . 001 nuclear build full ' A' A ' 846' ' ' VAL . . . . . 1.455 ' C ' HD22 ' A' ' 847' ' ' LEU . 26.9 m 37.61 -126.64 0.02 OUTLIER 'Isoleucine or valine' 1 C--O 0.532 -36.66 1 CA-C-O 148.667 13.604 . . . . 1.75 109.435 -179.947 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 847' ' ' LEU . . . . . 1.455 HD22 ' C ' ' A' ' 846' ' ' VAL . 0.1 OUTLIER 117.35 -142.52 0.0 OUTLIER 'General case' 2 C--O 0.434 -41.837 4 O-C-N 53.564 -43.21 . . . . 1.79 109.85 -179.912 . . . . . . . . 5 4 . 1 . 001 nuclear build full ' A' A ' 848' ' ' LEU . . . . . 1.3 ' CA ' ' O ' ' A' ' 847' ' ' LEU . 2.7 mt 128.0 173.43 0.0 OUTLIER 'General case' 1 C--N 0.79 -23.747 3 O-C-N 4.888 -73.632 . . . . 0.86 109.754 179.631 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 849' ' ' ASP . . . . . 1.115 ' CG ' ' CA ' ' A' ' 849' ' ' ASP . 0.0 OUTLIER -79.53 51.91 1.32 Allowed 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 109.87 -0.419 . . . . 2.32 109.87 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 850' ' ' ILE . . . . . 1.584 ' CD1' ' HA ' ' A' ' 913' ' ' ILE . 0.1 OUTLIER -76.78 -92.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.212 -0.911 0 N-CA-C 109.923 -0.399 . . . . 0.74 109.923 179.896 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 851' ' ' PHE . . . . . 1.433 ' CA ' HD11 ' A' ' 918' ' ' LEU . 9.6 m-85 -59.66 28.32 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 109.932 -0.396 . . . . 1.16 109.932 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 852' ' ' THR . . . . . 0.886 ' N ' HD21 ' A' ' 918' ' ' LEU . 0.5 OUTLIER -36.84 107.09 0.05 Allowed 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 109.974 -0.38 . . . . 0.95 109.974 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 853' ' ' GLY . . . . . . . . . . . . . . . 65.59 14.03 59.62 Favored Glycine 1 C--O 1.12 -6.987 0 N-CA-C 110.54 -1.024 . . . . 0.93 110.54 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 854' ' ' VAL . . . . . 1.439 HG11 ' CH2' ' A' ' 908' ' ' TRP . 4.5 t -85.99 111.33 20.97 Favored 'Isoleucine or valine' 0 C--N 1.251 -3.69 0 O-C-N 118.133 -2.98 . . . . 0.6 109.744 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 855' ' ' ARG . . . . . 1.164 ' C ' ' HB2' ' A' ' 890' ' ' HIS . 5.9 ptp180 -96.21 82.28 3.43 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.565 -0.709 . . . . 2.33 110.918 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 856' ' ' LEU . . . . . 1.213 HD12 ' C ' ' A' ' 856' ' ' LEU . 0.0 OUTLIER -99.53 133.92 43.16 Favored 'General case' 0 N--CA 1.432 -1.326 0 N-CA-C 110.384 -0.228 . . . . 0.93 110.384 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 857' ' ' TYR . . . . . 1.382 ' CG ' ' CE1' ' A' ' 857' ' ' TYR . 0.1 OUTLIER -77.27 101.18 6.14 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 109.784 -0.45 . . . . 1.25 109.784 -179.909 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 858' ' ' LEU . . . . . 1.19 ' CD2' ' HB3' ' A' ' 868' ' ' LEU . 0.2 OUTLIER -81.47 111.97 29.85 Favored Pre-proline 0 N--CA 1.448 -0.543 0 N-CA-C 109.813 -0.44 . . . . 0.37 109.813 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 859' ' ' PRO . . . . . 0.879 ' HD2' ' CD1' ' A' ' 858' ' ' LEU . 85.2 Cg_endo -72.48 146.51 44.58 Favored 'Trans proline' 0 N--CA 1.442 -1.54 0 C-N-CA 124.358 3.372 . . . . 0.5 109.581 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 860' ' ' PRO . . . . . 0.424 ' HA ' ' CD2' ' A' ' 865' ' ' PHE . 84.1 Cg_endo -72.3 -21.78 22.78 Favored 'Trans proline' 0 N--CA 1.444 -1.43 0 C-N-CA 124.222 3.281 . . . . 0.75 109.672 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 861' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.13 -13.72 59.05 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 109.929 -0.397 . . . . 0.86 109.929 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 862' ' ' THR . . . . . 0.791 ' CG2' HD12 ' A' ' 868' ' ' LEU . 0.7 OUTLIER -67.43 142.43 96.46 Favored Pre-proline 0 N--CA 1.445 -0.681 0 N-CA-C 110.067 -0.346 . . . . 0.68 110.067 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 863' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -72.39 144.09 40.26 Favored 'Trans proline' 0 N--CA 1.444 -1.384 0 C-N-CA 124.452 3.434 . . . . 0.6 109.64 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 864' ' ' ASP . . . . . 1.049 ' OD1' ' CB ' ' A' ' 864' ' ' ASP . 0.2 OUTLIER 68.98 11.84 8.45 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 109.837 -0.431 . . . . 1.35 109.837 -179.871 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 865' ' ' PHE . . . . . 1.34 ' CZ ' ' CD1' ' A' ' 865' ' ' PHE . 28.8 t80 -43.51 -50.52 7.1 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.866 -0.42 . . . . 1.27 109.866 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 866' ' ' SER . . . . . 0.542 ' C ' ' O ' ' A' ' 865' ' ' PHE . 2.9 t -28.31 -67.81 0.07 Allowed 'General case' 0 C--O 1.188 -2.172 0 N-CA-C 110.128 -0.323 . . . . 1.19 110.128 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 867' ' ' ARG . . . . . 0.501 ' HG2' ' NZ ' ' A' ' 845' ' ' LYS . 0.0 OUTLIER -75.39 -48.31 23.5 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.45 -0.781 . . . . 2.57 109.874 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 868' ' ' LEU . . . . . 1.19 ' HB3' ' CD2' ' A' ' 858' ' ' LEU . 2.6 mt -32.19 -49.65 0.2 Allowed 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 110.006 -0.368 . . . . 0.55 110.006 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 869' ' ' ARG . . . . . 0.488 ' O ' HG12 ' A' ' 873' ' ' VAL . 2.4 ttp85 -66.33 -85.68 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 109.711 -0.477 . . . . 1.91 109.711 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 870' ' ' ARG . . . . . 0.873 ' O ' ' HB2' ' A' ' 874' ' ' ALA . 0.0 OUTLIER -38.52 -50.53 1.56 Allowed 'General case' 0 C--O 1.195 -1.789 0 N-CA-C 109.819 -0.437 . . . . 4.22 109.819 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 871' ' ' TYR . . . . . 1.425 ' CG ' ' CE2' ' A' ' 871' ' ' TYR . 17.9 t80 -51.16 -66.93 0.3 Allowed 'General case' 0 C--N 1.309 -1.176 0 O-C-N 121.681 -0.637 . . . . 1.45 109.845 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 872' ' ' PHE . . . . . 1.421 ' CG ' ' CE1' ' A' ' 872' ' ' PHE . 15.2 t80 -45.55 -90.92 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 109.936 -0.394 . . . . 1.3 109.936 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 873' ' ' VAL . . . . . 0.515 ' C ' ' O ' ' A' ' 872' ' ' PHE . 0.1 OUTLIER -31.54 -35.65 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 N-CA-C 109.75 -0.463 . . . . 0.63 109.75 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 874' ' ' ALA . . . . . 0.873 ' HB2' ' O ' ' A' ' 870' ' ' ARG . . . -59.18 -56.09 26.67 Favored 'General case' 0 C--O 1.216 -0.683 0 N-CA-C 109.754 -0.461 . . . . 0.7 109.754 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 875' ' ' PHE . . . . . 1.36 ' CZ ' ' CD2' ' A' ' 875' ' ' PHE . 10.8 m-30 -35.63 -46.65 0.43 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.818 -0.438 . . . . 1.3 109.818 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 876' ' ' ASP . . . . . 0.984 ' OD1' ' CB ' ' A' ' 876' ' ' ASP . 5.7 m-20 146.74 11.12 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 109.862 -0.422 . . . . 1.43 109.862 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 877' ' ' GLY . . . . . . . . . . . . . . . -94.85 -142.5 12.77 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 110.367 -1.093 . . . . 0.58 110.367 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 878' ' ' ASP . . . . . 1.193 ' OD2' ' CB ' ' A' ' 878' ' ' ASP . 11.1 m-20 -158.12 156.39 30.85 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 109.955 -0.387 . . . . 1.62 109.955 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 879' ' ' LEU . . . . . 1.196 ' CD2' ' CB ' ' A' ' 879' ' ' LEU . 2.8 mt -131.21 125.98 34.37 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 109.972 -0.381 . . . . 1.28 109.972 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 880' ' ' VAL . . . . . 1.119 HG21 ' CB ' ' A' ' 888' ' ' ALA . 0.0 OUTLIER -108.57 143.2 19.32 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.42 0 N-CA-C 109.763 -0.458 . . . . 0.47 109.763 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 881' ' ' GLN . . . . . 1.304 ' NE2' ' CG ' ' A' ' 881' ' ' GLN . 11.9 mt-30 -70.79 132.78 45.83 Favored 'General case' 0 C--N 1.314 -0.944 0 O-C-N 121.878 -0.514 . . . . 1.58 109.863 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 882' ' ' GLU . . . . . 1.03 ' OE2' ' CG ' ' A' ' 882' ' ' GLU . 7.8 tt0 -26.6 -69.38 0.04 OUTLIER 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 110.039 -0.356 . . . . 1.31 110.039 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 883' ' ' PHE . . . . . 1.416 ' CG ' ' CE2' ' A' ' 883' ' ' PHE . 28.7 p90 -66.2 14.81 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 109.853 -0.425 . . . . 1.51 109.853 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 884' ' ' ASP . . . . . 0.989 ' OD2' ' CB ' ' A' ' 884' ' ' ASP . 85.8 m-20 -145.44 91.62 2.14 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 109.776 -0.453 . . . . 1.23 109.776 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 885' ' ' MET . . . . . 1.705 ' SD ' ' HB2' ' A' ' 897' ' ' LYS . 1.4 ptp -146.71 -39.18 0.21 Allowed 'General case' 0 C--O 1.212 -0.896 0 N-CA-C 109.808 -0.442 . . . . 0.77 109.808 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 886' ' ' THR . . . . . 0.714 ' C ' ' O ' ' A' ' 885' ' ' MET . 7.3 p -5.24 -52.04 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.839 -0.43 . . . . 0.41 109.839 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 887' ' ' SER . . . . . 0.936 ' N ' ' O ' ' A' ' 885' ' ' MET . 0.4 OUTLIER -95.45 -13.91 24.19 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 109.874 -0.417 . . . . 0.57 109.874 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 888' ' ' ALA . . . . . 1.17 ' N ' ' O ' ' A' ' 885' ' ' MET . . . -46.56 -177.01 0.0 OUTLIER 'General case' 0 C--O 1.212 -0.911 0 N-CA-C 109.841 -0.429 . . . . 0.47 109.841 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 889' ' ' THR . . . . . 1.045 HG21 ' H ' ' A' ' 855' ' ' ARG . 0.6 OUTLIER -133.44 -42.01 0.86 Allowed 'General case' 0 C--N 1.312 -1.022 0 O-C-N 121.979 -0.451 . . . . 0.68 110.191 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 890' ' ' HIS . . . . . 1.184 ' HB2' ' N ' ' A' ' 856' ' ' LEU . 17.0 m80 -124.85 159.99 29.81 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 110.083 -0.34 . . . . 0.58 110.083 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 891' ' ' VAL . . . . . 0.972 ' HA ' ' H ' ' A' ' 857' ' ' TYR . 6.5 m -148.49 125.49 2.73 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.705 0 N-CA-C 109.736 -0.468 . . . . 0.45 109.736 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 892' ' ' LEU . . . . . 1.193 HD12 ' CD2' ' A' ' 856' ' ' LEU . 0.1 OUTLIER -79.22 123.8 27.75 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 109.716 -0.476 . . . . 0.45 109.716 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 893' ' ' GLY . . . . . . . . . . . . . . . 60.28 101.87 0.01 OUTLIER Glycine 2 C--O 0.759 -29.535 0 CA-C-O 116.181 -2.455 . . . . 1.19 112.845 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 894' ' ' SER . . . . . 0.834 ' O ' ' NZ ' ' A' ' 897' ' ' LYS . 58.0 m 85.6 172.15 0.06 Allowed 'General case' 1 C--N 1.147 -8.204 3 CA-C-N 137.93 10.865 . . . . 0.77 110.612 179.91 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 895' ' ' ARG . . . . . 0.86 ' O ' ' N ' ' A' ' 898' ' ' ASN . 10.6 ptt180 -141.99 -32.31 0.52 Allowed 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 109.773 -0.454 . . . . 2.06 109.773 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 896' ' ' ASP . . . . . 1.314 ' OD1' ' CB ' ' A' ' 896' ' ' ASP . 0.1 OUTLIER -13.47 -77.99 0.0 OUTLIER 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.805 -0.443 . . . . 1.74 109.805 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 897' ' ' LYS . . . . . 1.705 ' HB2' ' SD ' ' A' ' 885' ' ' MET . 0.0 OUTLIER -31.38 -34.13 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 109.926 -0.398 . . . . 0.44 109.926 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 898' ' ' ASN . . . . . 0.986 ' HB2' ' CG ' ' A' ' 885' ' ' MET . 6.2 t30 -158.91 97.44 1.69 Allowed Pre-proline 0 N--CA 1.448 -0.572 0 N-CA-C 109.937 -0.394 . . . . 1.19 109.937 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 899' ' ' PRO . . . . . 0.579 ' HA ' ' HD2' ' A' ' 895' ' ' ARG . 83.4 Cg_endo -72.44 -11.69 26.69 Favored 'Trans proline' 0 N--CA 1.444 -1.389 0 C-N-CA 124.255 3.303 . . . . 0.54 109.602 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -88.16 -2.43 58.6 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 109.766 -0.457 . . . . 0.47 109.766 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 901' ' ' ALA . . . . . 0.803 ' HA ' ' O ' ' A' ' 889' ' ' THR . . . -94.71 -165.22 1.27 Allowed 'General case' 1 C--O 1.149 -4.223 0 CA-C-O 121.052 0.453 . . . . 0.75 109.97 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 902' ' ' GLN . . . . . 0.917 ' H ' ' HA ' ' A' ' 890' ' ' HIS . 18.6 mm-40 -116.39 131.67 56.88 Favored 'General case' 0 C--N 1.273 -2.731 0 O-C-N 119.346 -2.096 . . . . 0.81 109.898 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 903' ' ' GLN . . . . . 0.634 ' HG3' ' HB3' ' A' ' 895' ' ' ARG . 1.1 mt-30 -88.24 68.54 9.02 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 109.979 -0.378 . . . . 1.57 109.979 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 904' ' ' VAL . . . . . 0.625 HG23 ' N ' ' A' ' 905' ' ' SER . 1.6 m -86.38 173.27 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 N-CA-C 109.825 -0.435 . . . . 0.42 109.825 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 905' ' ' SER . . . . . 1.093 ' OG ' ' HB3' ' A' ' 905' ' ' SER . 26.7 t -128.04 -170.43 0.21 Allowed Pre-proline 0 N--CA 1.446 -0.635 0 N-CA-C 109.903 -0.406 . . . . 1.4 109.903 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 906' ' ' PRO . . . . . 1.06 ' HD2' ' OG ' ' A' ' 905' ' ' SER . 82.8 Cg_endo -72.48 -29.27 13.7 Favored 'Trans proline' 0 N--CA 1.444 -1.413 0 C-N-CA 124.325 3.35 . . . . 0.58 109.657 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 907' ' ' GLU . . . . . 0.43 ' HA ' ' HD1' ' A' ' 910' ' ' TRP . 0.3 OUTLIER -71.92 -27.26 62.7 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 109.957 -0.386 . . . . 2.39 109.957 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 908' ' ' TRP . . . . . 1.439 ' CH2' HG11 ' A' ' 854' ' ' VAL . 84.7 t90 -66.66 -49.94 64.54 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 109.866 -0.42 . . . . 0.44 109.866 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 909' ' ' ILE . . . . . 1.161 ' CG1' ' CZ ' ' A' ' 851' ' ' PHE . 0.7 OUTLIER -51.12 -52.21 19.25 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 N-CA-C 109.84 -0.43 . . . . 0.35 109.84 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 910' ' ' TRP . . . . . 0.55 ' CD1' ' O ' ' A' ' 906' ' ' PRO . 20.5 m95 -59.02 -62.4 1.91 Allowed 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.945 -0.391 . . . . 0.58 109.945 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 911' ' ' ALA . . . . . 0.609 ' O ' ' CG ' ' A' ' 915' ' ' LYS . . . -51.86 -35.71 45.82 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 109.84 -0.43 . . . . 0.5 109.84 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 912' ' ' CYS . . . . . 0.869 ' HB3' HG22 ' A' ' 850' ' ' ILE . 93.6 m -71.17 -69.87 0.35 Allowed 'General case' 0 C--O 1.189 -2.123 0 N-CA-C 109.467 -0.568 . . . . 1.02 109.467 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 913' ' ' ILE . . . . . 1.584 ' HA ' ' CD1' ' A' ' 850' ' ' ILE . 17.1 tt -43.7 -43.64 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.723 0 O-C-N 121.183 -0.948 . . . . 1.47 110.732 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 914' ' ' ARG . . . . . 1.315 ' CG ' ' NE ' ' A' ' 914' ' ' ARG . 0.3 OUTLIER -68.96 -34.75 75.84 Favored 'General case' 0 C--O 1.174 -2.894 0 N-CA-C 109.655 -0.498 . . . . 3.11 109.655 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 915' ' ' LYS . . . . . 0.609 ' CG ' ' O ' ' A' ' 911' ' ' ALA . 9.5 mmtp -80.0 -8.77 59.53 Favored 'General case' 0 C--N 1.306 -1.287 0 C-N-CA 123.68 0.792 . . . . 1.36 109.969 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 916' ' ' ARG . . . . . 1.552 ' CZ ' ' CG ' ' A' ' 916' ' ' ARG . 0.2 OUTLIER 61.91 2.24 0.74 Allowed 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 109.716 -0.476 . . . . 3.81 109.716 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 917' ' ' ARG . . . . . 0.468 ' H ' ' C ' ' A' ' 915' ' ' LYS . 0.0 OUTLIER -146.57 126.41 13.53 Favored 'General case' 0 C--O 1.184 -2.367 0 CA-C-O 121.293 0.568 . . . . 4.11 109.992 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 918' ' ' LEU . . . . . 1.433 HD11 ' CA ' ' A' ' 851' ' ' PHE . 0.3 OUTLIER -41.47 125.27 2.61 Favored 'General case' 0 C--N 1.289 -2.065 0 O-C-N 120.744 -1.223 . . . . 0.67 109.878 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 919' ' ' VAL . . . . . 0.849 HG23 ' N ' ' A' ' 920' ' ' ALA . 0.7 OUTLIER -99.64 -164.95 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.692 0 N-CA-C 109.716 -0.476 . . . . 0.63 109.716 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 920' ' ' ALA . . . . . 0.849 ' N ' HG23 ' A' ' 919' ' ' VAL . . . -69.14 113.54 17.25 Favored Pre-proline 0 N--CA 1.448 -0.558 0 N-CA-C 109.786 -0.45 . . . . 0.76 109.786 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 921' ' ' PRO . . . . . 0.634 ' HA ' ' CD1' ' A' ' 908' ' ' TRP . 84.3 Cg_endo -72.39 129.88 15.45 Favored 'Trans proline' 0 N--CA 1.444 -1.404 0 C-N-CA 124.339 3.359 . . . . 0.62 109.638 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 922' ' ' CYS . . . . . . . . . . . . 0.757 13.0 t . . . . . 2 CA--C 0.881 -24.783 2 CA-C-O 144.997 11.856 . . . . 2.29 125.874 -179.969 . . . . . . . . 3 1 . 1 . 001 nuclear nobuild full ' A' A ' 835' ' ' GLY . . . . . 1.352 ' N ' ' C ' ' A' ' 835' ' ' GLY . . . . . . . . 3 N--CA 0.565 -59.417 2 N-CA-C 139.823 10.689 . . . . 2.99 139.823 . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 836' ' ' SER . . . . . 1.299 ' OG ' ' CA ' ' A' ' 836' ' ' SER . 73.8 m -92.74 -53.2 4.27 Favored 'General case' 3 C--N 0.872 -20.167 3 O-C-N 92.981 -17.776 . . . . 1.76 112.874 -179.976 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . 0.515 ' O ' ' N ' ' A' ' 841' ' ' LEU . . . -36.44 -62.55 0.45 Allowed 'General case' 0 C--N 1.263 -3.166 0 O-C-N 119.481 -2.012 . . . . 0.82 109.903 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 838' ' ' ASP . . . . . 1.209 ' CG ' ' CA ' ' A' ' 838' ' ' ASP . 0.6 OUTLIER -50.26 -29.7 10.17 Favored 'General case' 0 C--O 1.191 -2.019 0 CA-C-O 121.016 0.436 . . . . 2.74 109.891 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . 1.222 ' OE2' ' CG ' ' A' ' 839' ' ' GLU . 0.1 OUTLIER -86.31 -22.8 26.55 Favored 'General case' 0 C--N 1.294 -1.839 0 O-C-N 121.489 -0.757 . . . . 2.33 110.438 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 840' ' ' THR . . . . . 0.626 ' O ' HG11 ' A' ' 846' ' ' VAL . 3.4 m -99.19 -61.91 1.31 Allowed 'General case' 0 C--O 1.191 -2.0 0 O-C-N 121.902 -0.499 . . . . 1.36 109.972 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 841' ' ' LEU . . . . . 0.971 HD11 ' HE2' ' A' ' 845' ' ' LYS . 0.2 OUTLIER -62.74 -4.21 1.94 Allowed 'General case' 0 C--N 1.29 -1.985 0 N-CA-C 109.518 -0.549 . . . . 1.29 109.518 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 842' ' ' CYS . . . . . 0.945 ' HB2' ' O ' ' A' ' 838' ' ' ASP . 40.6 t -55.15 -9.19 0.37 Allowed 'General case' 0 N--CA 1.414 -2.263 0 O-C-N 123.735 0.647 . . . . 1.36 109.462 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 843' ' ' GLN . . . . . 0.733 ' HB2' HG12 ' A' ' 846' ' ' VAL . 0.2 OUTLIER -108.92 61.16 0.6 Allowed 'General case' 0 C--O 1.18 -2.553 0 CA-C-O 122.353 1.073 . . . . 1.4 110.142 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 844' ' ' THR . . . . . 0.586 HG22 ' N ' ' A' ' 845' ' ' LYS . 0.3 OUTLIER 61.13 -51.24 0.11 Allowed 'General case' 1 C--O 0.7 -27.86 0 O-C-N 120.325 -1.485 . . . . 1.58 112.33 179.932 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 845' ' ' LYS . . . . . 1.018 ' O ' ' HE1' ' A' ' 871' ' ' TYR . 0.0 OUTLIER -172.03 -5.78 0.01 OUTLIER 'General case' 1 C--N 1.09 -10.694 3 O-C-N 100.822 -13.674 . . . . 1.99 108.975 -179.942 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' A' A ' 846' ' ' VAL . . . . . 1.455 ' C ' HD22 ' A' ' 847' ' ' LEU . 26.9 m 37.61 -126.64 0.02 OUTLIER 'Isoleucine or valine' 1 C--O 0.532 -36.66 1 CA-C-O 148.667 13.604 . . . . 1.75 109.435 -179.947 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 847' ' ' LEU . . . . . 1.455 HD22 ' C ' ' A' ' 846' ' ' VAL . 0.1 OUTLIER 117.35 -142.52 0.0 OUTLIER 'General case' 2 C--O 0.434 -41.837 4 O-C-N 53.564 -43.21 . . . . 1.79 109.85 -179.912 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' A' A ' 848' ' ' LEU . . . . . 1.3 ' CA ' ' O ' ' A' ' 847' ' ' LEU . 2.7 mt 128.0 173.43 0.0 OUTLIER 'General case' 1 C--N 0.79 -23.747 3 O-C-N 4.888 -73.632 . . . . 0.86 109.754 179.631 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 849' ' ' ASP . . . . . 1.115 ' CG ' ' CA ' ' A' ' 849' ' ' ASP . 0.0 OUTLIER -79.53 51.91 1.32 Allowed 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 109.87 -0.419 . . . . 2.32 109.87 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 850' ' ' ILE . . . . . 1.584 ' CD1' ' HA ' ' A' ' 913' ' ' ILE . 0.1 OUTLIER -76.78 -92.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.212 -0.911 0 N-CA-C 109.923 -0.399 . . . . 0.74 109.923 179.896 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 851' ' ' PHE . . . . . 1.433 ' CA ' HD11 ' A' ' 918' ' ' LEU . 9.6 m-85 -59.66 28.32 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 109.932 -0.396 . . . . 1.16 109.932 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 852' ' ' THR . . . . . 0.886 ' N ' HD21 ' A' ' 918' ' ' LEU . 0.5 OUTLIER -36.84 107.09 0.05 Allowed 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 109.974 -0.38 . . . . 0.95 109.974 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 853' ' ' GLY . . . . . . . . . . . . . . . 65.59 14.03 59.62 Favored Glycine 1 C--O 1.12 -6.987 0 N-CA-C 110.54 -1.024 . . . . 0.93 110.54 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 854' ' ' VAL . . . . . 1.439 HG11 ' CH2' ' A' ' 908' ' ' TRP . 4.5 t -85.99 111.33 20.97 Favored 'Isoleucine or valine' 0 C--N 1.251 -3.69 0 O-C-N 118.133 -2.98 . . . . 0.6 109.744 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 855' ' ' ARG . . . . . 1.164 ' C ' ' HB2' ' A' ' 890' ' ' HIS . 5.9 ptp180 -96.21 82.28 3.43 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.565 -0.709 . . . . 2.33 110.918 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . 1.213 HD12 ' C ' ' A' ' 856' ' ' LEU . 0.0 OUTLIER -99.53 133.92 43.16 Favored 'General case' 0 N--CA 1.432 -1.326 0 N-CA-C 110.384 -0.228 . . . . 0.93 110.384 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 857' ' ' TYR . . . . . 1.382 ' CG ' ' CE1' ' A' ' 857' ' ' TYR . 0.1 OUTLIER -77.27 101.18 6.14 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 109.784 -0.45 . . . . 1.25 109.784 -179.909 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 858' ' ' LEU . . . . . 1.19 ' CD2' ' HB3' ' A' ' 868' ' ' LEU . 0.2 OUTLIER -81.47 111.97 29.85 Favored Pre-proline 0 N--CA 1.448 -0.543 0 N-CA-C 109.813 -0.44 . . . . 0.37 109.813 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 859' ' ' PRO . . . . . 0.879 ' HD2' ' CD1' ' A' ' 858' ' ' LEU . 85.2 Cg_endo -72.48 146.51 44.58 Favored 'Trans proline' 0 N--CA 1.442 -1.54 0 C-N-CA 124.358 3.372 . . . . 0.5 109.581 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 860' ' ' PRO . . . . . 0.424 ' HA ' ' CD2' ' A' ' 865' ' ' PHE . 84.1 Cg_endo -72.3 -21.78 22.78 Favored 'Trans proline' 0 N--CA 1.444 -1.43 0 C-N-CA 124.222 3.281 . . . . 0.75 109.672 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 861' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.13 -13.72 59.05 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 109.929 -0.397 . . . . 0.86 109.929 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 862' ' ' THR . . . . . 0.791 ' CG2' HD12 ' A' ' 868' ' ' LEU . 0.7 OUTLIER -67.43 142.43 96.46 Favored Pre-proline 0 N--CA 1.445 -0.681 0 N-CA-C 110.067 -0.346 . . . . 0.68 110.067 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 863' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -72.39 144.09 40.26 Favored 'Trans proline' 0 N--CA 1.444 -1.384 0 C-N-CA 124.452 3.434 . . . . 0.6 109.64 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 864' ' ' ASP . . . . . 1.049 ' OD1' ' CB ' ' A' ' 864' ' ' ASP . 0.2 OUTLIER 68.98 11.84 8.45 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 109.837 -0.431 . . . . 1.35 109.837 -179.871 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 865' ' ' PHE . . . . . 1.34 ' CZ ' ' CD1' ' A' ' 865' ' ' PHE . 28.8 t80 -43.51 -50.52 7.1 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.866 -0.42 . . . . 1.27 109.866 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 866' ' ' SER . . . . . 0.542 ' C ' ' O ' ' A' ' 865' ' ' PHE . 2.9 t -28.31 -67.81 0.07 Allowed 'General case' 0 C--O 1.188 -2.172 0 N-CA-C 110.128 -0.323 . . . . 1.19 110.128 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 867' ' ' ARG . . . . . 0.501 ' HG2' ' NZ ' ' A' ' 845' ' ' LYS . 0.0 OUTLIER -75.39 -48.31 23.5 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.45 -0.781 . . . . 2.57 109.874 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 868' ' ' LEU . . . . . 1.19 ' HB3' ' CD2' ' A' ' 858' ' ' LEU . 2.6 mt -32.19 -49.65 0.2 Allowed 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 110.006 -0.368 . . . . 0.55 110.006 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 869' ' ' ARG . . . . . 0.488 ' O ' HG12 ' A' ' 873' ' ' VAL . 2.4 ttp85 -66.33 -85.68 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 109.711 -0.477 . . . . 1.91 109.711 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 870' ' ' ARG . . . . . 0.873 ' O ' ' HB2' ' A' ' 874' ' ' ALA . 0.0 OUTLIER -38.52 -50.53 1.56 Allowed 'General case' 0 C--O 1.195 -1.789 0 N-CA-C 109.819 -0.437 . . . . 4.22 109.819 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 871' ' ' TYR . . . . . 1.425 ' CG ' ' CE2' ' A' ' 871' ' ' TYR . 17.9 t80 -51.16 -66.93 0.3 Allowed 'General case' 0 C--N 1.309 -1.176 0 O-C-N 121.681 -0.637 . . . . 1.45 109.845 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 872' ' ' PHE . . . . . 1.421 ' CG ' ' CE1' ' A' ' 872' ' ' PHE . 15.2 t80 -45.55 -90.92 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 109.936 -0.394 . . . . 1.3 109.936 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . 0.515 ' C ' ' O ' ' A' ' 872' ' ' PHE . 0.1 OUTLIER -31.54 -35.65 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 N-CA-C 109.75 -0.463 . . . . 0.63 109.75 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . 0.873 ' HB2' ' O ' ' A' ' 870' ' ' ARG . . . -59.18 -56.09 26.67 Favored 'General case' 0 C--O 1.216 -0.683 0 N-CA-C 109.754 -0.461 . . . . 0.7 109.754 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 875' ' ' PHE . . . . . 1.36 ' CZ ' ' CD2' ' A' ' 875' ' ' PHE . 10.8 m-30 -35.63 -46.65 0.43 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.818 -0.438 . . . . 1.3 109.818 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 876' ' ' ASP . . . . . 0.984 ' OD1' ' CB ' ' A' ' 876' ' ' ASP . 5.7 m-20 146.74 11.12 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 109.862 -0.422 . . . . 1.43 109.862 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 877' ' ' GLY . . . . . . . . . . . . . . . -94.85 -142.5 12.77 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 110.367 -1.093 . . . . 0.58 110.367 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 878' ' ' ASP . . . . . 1.193 ' OD2' ' CB ' ' A' ' 878' ' ' ASP . 11.1 m-20 -158.12 156.39 30.85 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 109.955 -0.387 . . . . 1.62 109.955 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 879' ' ' LEU . . . . . 1.196 ' CD2' ' CB ' ' A' ' 879' ' ' LEU . 2.8 mt -131.21 125.98 34.37 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 109.972 -0.381 . . . . 1.28 109.972 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 880' ' ' VAL . . . . . 1.119 HG21 ' CB ' ' A' ' 888' ' ' ALA . 0.0 OUTLIER -108.57 143.2 19.32 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.42 0 N-CA-C 109.763 -0.458 . . . . 0.47 109.763 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 881' ' ' GLN . . . . . 1.304 ' NE2' ' CG ' ' A' ' 881' ' ' GLN . 11.9 mt-30 -70.79 132.78 45.83 Favored 'General case' 0 C--N 1.314 -0.944 0 O-C-N 121.878 -0.514 . . . . 1.58 109.863 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 882' ' ' GLU . . . . . 1.03 ' OE2' ' CG ' ' A' ' 882' ' ' GLU . 7.8 tt0 -26.6 -69.38 0.04 OUTLIER 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 110.039 -0.356 . . . . 1.31 110.039 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 883' ' ' PHE . . . . . 1.416 ' CG ' ' CE2' ' A' ' 883' ' ' PHE . 28.7 p90 -66.2 14.81 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 109.853 -0.425 . . . . 1.51 109.853 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 884' ' ' ASP . . . . . 0.989 ' OD2' ' CB ' ' A' ' 884' ' ' ASP . 85.8 m-20 -145.44 91.62 2.14 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 109.776 -0.453 . . . . 1.23 109.776 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 885' ' ' MET . . . . . 1.705 ' SD ' ' HB2' ' A' ' 897' ' ' LYS . 1.4 ptp -146.71 -39.18 0.21 Allowed 'General case' 0 C--O 1.212 -0.896 0 N-CA-C 109.808 -0.442 . . . . 0.77 109.808 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 886' ' ' THR . . . . . 0.714 ' C ' ' O ' ' A' ' 885' ' ' MET . 7.3 p -5.24 -52.04 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.839 -0.43 . . . . 0.41 109.839 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 887' ' ' SER . . . . . 0.936 ' N ' ' O ' ' A' ' 885' ' ' MET . 0.4 OUTLIER -95.45 -13.91 24.19 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 109.874 -0.417 . . . . 0.57 109.874 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 888' ' ' ALA . . . . . 1.17 ' N ' ' O ' ' A' ' 885' ' ' MET . . . -46.56 -177.01 0.0 OUTLIER 'General case' 0 C--O 1.212 -0.911 0 N-CA-C 109.841 -0.429 . . . . 0.47 109.841 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 889' ' ' THR . . . . . 1.045 HG21 ' H ' ' A' ' 855' ' ' ARG . 0.6 OUTLIER -133.44 -42.01 0.86 Allowed 'General case' 0 C--N 1.312 -1.022 0 O-C-N 121.979 -0.451 . . . . 0.68 110.191 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 890' ' ' HIS . . . . . 1.184 ' HB2' ' N ' ' A' ' 856' ' ' LEU . 17.0 m80 -124.85 159.99 29.81 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 110.083 -0.34 . . . . 0.58 110.083 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 891' ' ' VAL . . . . . 0.972 ' HA ' ' H ' ' A' ' 857' ' ' TYR . 6.5 m -148.49 125.49 2.73 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.705 0 N-CA-C 109.736 -0.468 . . . . 0.45 109.736 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 892' ' ' LEU . . . . . 1.193 HD12 ' CD2' ' A' ' 856' ' ' LEU . 0.1 OUTLIER -79.22 123.8 27.75 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 109.716 -0.476 . . . . 0.45 109.716 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 893' ' ' GLY . . . . . . . . . . . . . . . 60.28 101.87 0.01 OUTLIER Glycine 2 C--O 0.759 -29.535 0 CA-C-O 116.181 -2.455 . . . . 1.19 112.845 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 894' ' ' SER . . . . . 0.834 ' O ' ' NZ ' ' A' ' 897' ' ' LYS . 58.0 m 85.6 172.15 0.06 Allowed 'General case' 1 C--N 1.147 -8.204 3 CA-C-N 137.93 10.865 . . . . 0.77 110.612 179.91 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 895' ' ' ARG . . . . . 0.86 ' O ' ' N ' ' A' ' 898' ' ' ASN . 10.6 ptt180 -141.99 -32.31 0.52 Allowed 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 109.773 -0.454 . . . . 2.06 109.773 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 896' ' ' ASP . . . . . 1.314 ' OD1' ' CB ' ' A' ' 896' ' ' ASP . 0.1 OUTLIER -13.47 -77.99 0.0 OUTLIER 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.805 -0.443 . . . . 1.74 109.805 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 897' ' ' LYS . . . . . 1.705 ' HB2' ' SD ' ' A' ' 885' ' ' MET . 0.0 OUTLIER -31.38 -34.13 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 109.926 -0.398 . . . . 0.44 109.926 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 898' ' ' ASN . . . . . 0.986 ' HB2' ' CG ' ' A' ' 885' ' ' MET . 6.2 t30 -158.91 97.44 1.69 Allowed Pre-proline 0 N--CA 1.448 -0.572 0 N-CA-C 109.937 -0.394 . . . . 1.19 109.937 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 899' ' ' PRO . . . . . 0.579 ' HA ' ' HD2' ' A' ' 895' ' ' ARG . 83.4 Cg_endo -72.44 -11.69 26.69 Favored 'Trans proline' 0 N--CA 1.444 -1.389 0 C-N-CA 124.255 3.303 . . . . 0.54 109.602 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -88.16 -2.43 58.6 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 109.766 -0.457 . . . . 0.47 109.766 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 901' ' ' ALA . . . . . 0.803 ' HA ' ' O ' ' A' ' 889' ' ' THR . . . -94.71 -165.22 1.27 Allowed 'General case' 1 C--O 1.149 -4.223 0 CA-C-O 121.052 0.453 . . . . 0.75 109.97 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 902' ' ' GLN . . . . . 0.917 ' H ' ' HA ' ' A' ' 890' ' ' HIS . 4.7 mm100 -116.39 131.67 56.88 Favored 'General case' 0 C--N 1.273 -2.731 0 O-C-N 119.346 -2.096 . . . . 0.81 109.898 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 903' ' ' GLN . . . . . 0.753 ' NE2' ' HB3' ' A' ' 895' ' ' ARG . 2.3 mt-30 -88.24 68.54 9.02 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 109.979 -0.378 . . . . 1.57 109.979 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 904' ' ' VAL . . . . . 0.625 HG23 ' N ' ' A' ' 905' ' ' SER . 1.6 m -86.38 173.27 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 N-CA-C 109.825 -0.435 . . . . 0.42 109.825 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 905' ' ' SER . . . . . 1.093 ' OG ' ' HB3' ' A' ' 905' ' ' SER . 26.7 t -128.04 -170.43 0.21 Allowed Pre-proline 0 N--CA 1.446 -0.635 0 N-CA-C 109.903 -0.406 . . . . 1.4 109.903 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 906' ' ' PRO . . . . . 1.06 ' HD2' ' OG ' ' A' ' 905' ' ' SER . 82.8 Cg_endo -72.48 -29.27 13.7 Favored 'Trans proline' 0 N--CA 1.444 -1.413 0 C-N-CA 124.325 3.35 . . . . 0.58 109.657 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 907' ' ' GLU . . . . . 0.43 ' HA ' ' HD1' ' A' ' 910' ' ' TRP . 0.3 OUTLIER -71.92 -27.26 62.7 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 109.957 -0.386 . . . . 2.39 109.957 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 908' ' ' TRP . . . . . 1.439 ' CH2' HG11 ' A' ' 854' ' ' VAL . 84.7 t90 -66.66 -49.94 64.54 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 109.866 -0.42 . . . . 0.44 109.866 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 909' ' ' ILE . . . . . 1.161 ' CG1' ' CZ ' ' A' ' 851' ' ' PHE . 0.7 OUTLIER -51.12 -52.21 19.25 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 N-CA-C 109.84 -0.43 . . . . 0.35 109.84 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 910' ' ' TRP . . . . . 0.55 ' CD1' ' O ' ' A' ' 906' ' ' PRO . 20.5 m95 -59.02 -62.4 1.91 Allowed 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.945 -0.391 . . . . 0.58 109.945 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 911' ' ' ALA . . . . . 0.609 ' O ' ' CG ' ' A' ' 915' ' ' LYS . . . -51.86 -35.71 45.82 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 109.84 -0.43 . . . . 0.5 109.84 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 912' ' ' CYS . . . . . 0.869 ' HB3' HG22 ' A' ' 850' ' ' ILE . 93.6 m -71.17 -69.87 0.35 Allowed 'General case' 0 C--O 1.189 -2.123 0 N-CA-C 109.467 -0.568 . . . . 1.02 109.467 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 913' ' ' ILE . . . . . 1.584 ' HA ' ' CD1' ' A' ' 850' ' ' ILE . 17.1 tt -43.7 -43.64 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.723 0 O-C-N 121.183 -0.948 . . . . 1.47 110.732 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 914' ' ' ARG . . . . . 1.315 ' CG ' ' NE ' ' A' ' 914' ' ' ARG . 0.3 OUTLIER -68.96 -34.75 75.84 Favored 'General case' 0 C--O 1.174 -2.894 0 N-CA-C 109.655 -0.498 . . . . 3.11 109.655 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 915' ' ' LYS . . . . . 0.609 ' CG ' ' O ' ' A' ' 911' ' ' ALA . 9.5 mmtp -80.0 -8.77 59.53 Favored 'General case' 0 C--N 1.306 -1.287 0 C-N-CA 123.68 0.792 . . . . 1.36 109.969 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 916' ' ' ARG . . . . . 1.552 ' CZ ' ' CG ' ' A' ' 916' ' ' ARG . 0.2 OUTLIER 61.91 2.24 0.74 Allowed 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 109.716 -0.476 . . . . 3.81 109.716 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 917' ' ' ARG . . . . . 0.468 ' H ' ' C ' ' A' ' 915' ' ' LYS . 0.0 OUTLIER -146.57 126.41 13.53 Favored 'General case' 0 C--O 1.184 -2.367 0 CA-C-O 121.293 0.568 . . . . 4.11 109.992 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 918' ' ' LEU . . . . . 1.433 HD11 ' CA ' ' A' ' 851' ' ' PHE . 0.3 OUTLIER -41.47 125.27 2.61 Favored 'General case' 0 C--N 1.289 -2.065 0 O-C-N 120.744 -1.223 . . . . 0.67 109.878 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 919' ' ' VAL . . . . . 0.849 HG23 ' N ' ' A' ' 920' ' ' ALA . 0.7 OUTLIER -99.64 -164.95 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.692 0 N-CA-C 109.716 -0.476 . . . . 0.63 109.716 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 920' ' ' ALA . . . . . 0.849 ' N ' HG23 ' A' ' 919' ' ' VAL . . . -69.14 113.54 17.25 Favored Pre-proline 0 N--CA 1.448 -0.558 0 N-CA-C 109.786 -0.45 . . . . 0.76 109.786 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 921' ' ' PRO . . . . . 0.634 ' HA ' ' CD1' ' A' ' 908' ' ' TRP . 84.3 Cg_endo -72.39 129.88 15.45 Favored 'Trans proline' 0 N--CA 1.444 -1.404 0 C-N-CA 124.339 3.359 . . . . 0.62 109.638 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 922' ' ' CYS . . . . . . . . . . . . 0.757 13.0 t . . . . . 2 CA--C 0.881 -24.783 2 CA-C-O 144.997 11.856 . . . . 2.29 125.874 -179.969 . . . . . . . . 3 1 . 1 stop_ save_