data_1cod_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 1cod _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' ' ' LEU . . . . . 1.619 HD11 ' CB ' ' A' ' 1' ' ' LEU 0.292 2.9 tt . . . . . 2 N--CA 1.289 -8.523 0 N-CA-C 115.195 1.554 . . . . 3.15 115.195 . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 1.454 ' HG3' ' CD ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -146.09 137.6 24.81 Favored 'General case' 0 C--N 1.257 -3.436 0 O-C-N 120.016 -1.677 . . . . 2.43 111.792 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.388 ' SG ' ' SG ' ' A' ' 24' ' ' CYS . 96.8 m -118.3 165.97 13.19 Favored 'General case' 0 C--N 1.281 -2.374 0 O-C-N 120.945 -1.097 . . . . 1.43 109.928 179.858 -65.896 -74.56 -62.126 167.302 1.404 129.349 -107.808 -74.55 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 19.7 m170 -104.73 149.32 25.7 Favored 'General case' 1 C--O 1.134 -4.991 0 O-C-N 120.524 -1.36 . . . . 3.06 109.805 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 1.376 HD21 ' CB ' ' A' ' 5' ' ' ASN . 10.6 t-20 -120.28 147.35 45.1 Favored 'General case' 1 C--O 0.948 -14.778 1 CA-C-O 129.049 4.262 . . . . 2.42 110.633 -179.845 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 1.375 ' CB ' ' CD ' ' A' ' 6' ' ' GLN . 0.9 OUTLIER -159.09 114.99 2.58 Favored 'General case' 2 C--O 0.869 -18.971 3 O-C-N 103.827 -11.796 . . . . 2.96 111.467 179.82 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 1.577 ' HG2' ' CB ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -70.87 121.74 18.64 Favored 'General case' 2 C--N 0.939 -17.265 3 O-C-N 97.896 -15.503 . . . . 3.53 110.314 -179.744 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 1.199 ' C ' ' CA ' ' A' ' 9' ' ' SER . 0.1 OUTLIER 35.74 89.08 0.01 OUTLIER 'General case' 2 C--O 0.509 -37.904 3 CA-C-O 166.038 21.875 . . . . 2.32 109.862 179.73 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 1.38 ' O ' ' CA ' ' A' ' 10' ' ' GLN . 10.3 t 29.99 60.98 0.18 Allowed 'General case' 2 C--O 0.462 -40.381 4 O-C-N 25.508 -60.745 . . . . 3.2 114.039 179.611 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 1.506 ' HG3' ' CB ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -129.84 -106.22 0.29 Allowed 'General case' 2 C--N 0.727 -26.461 3 O-C-N 20.259 -64.026 . . . . 4.01 114.493 179.344 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 1.437 HG23 ' CB ' ' A' ' 11' ' ' THR . 0.2 OUTLIER -104.05 123.05 42.16 Favored Pre-proline 2 C--N 0.98 -15.471 3 O-C-N 99.946 -14.222 . . . . 2.52 112.339 179.788 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -78.08 130.85 10.55 Favored 'Trans proline' 1 C--N 1.234 -5.451 0 C-N-CA 123.228 2.619 . . . . 1.85 113.324 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 1.585 HG23 ' CB ' ' A' ' 13' ' ' THR . 0.2 OUTLIER -115.41 -177.97 3.27 Favored 'General case' 0 C--N 1.251 -3.682 0 O-C-N 120.424 -1.422 . . . . 1.97 110.409 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 1.612 ' HG1' ' CB ' ' A' ' 14' ' ' THR . 0.5 OUTLIER -125.41 137.8 54.01 Favored 'General case' 1 C--O 1.104 -6.594 0 O-C-N 119.731 -1.855 . . . . 2.49 110.306 -179.896 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 1.554 ' CG2' ' CA ' ' A' ' 15' ' ' THR . 1.2 p -137.92 122.2 18.17 Favored 'General case' 2 C--O 0.971 -13.579 0 O-C-N 118.266 -2.771 . . . . 2.68 116.087 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.65 114.21 4.83 Favored Glycine 3 C--O 0.854 -23.608 2 CA-C-O 128.943 4.635 . . . . 1.92 116.318 179.902 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 1.42 ' SG ' ' SG ' ' A' ' 41' ' ' CYS 0.371 12.1 m -85.21 130.78 34.54 Favored 'General case' 3 C--O 0.81 -22.039 3 O-C-N 100.201 -13.529 . . . . 2.25 117.36 -179.796 -82.915 142.002 70.689 147.733 1.442 155.146 177.577 -22.928 5 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 1.577 ' HB3' ' CA ' ' A' ' 18' ' ' SER 0.547 0.3 OUTLIER -156.26 74.12 0.83 Allowed 'General case' 4 C--O 0.472 -39.858 4 CA-C-O 162.14 20.019 . . . . 4.29 125.389 179.913 . . . . . . . . 6 4 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 1.366 ' CA ' ' C ' ' A' ' 18' ' ' SER . . . -167.19 12.23 0.06 OUTLIER Glycine 4 C--N 0.65 -37.551 3 O-C-N 32.286 -56.509 . . . . 3.36 119.646 179.705 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.612 ' H ' ' C ' ' A' ' 18' ' ' SER . . . 161.54 -39.6 0.4 Allowed Glycine 4 N--CA 1.053 -26.839 2 C-N-CA 110.368 -5.682 . . . . 2.23 109.969 -179.886 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 1.573 ' HG2' ' CB ' ' A' ' 21' ' ' GLU 0.483 79.2 mt-10 -82.07 151.38 27.07 Favored 'General case' 4 C--N 1.108 -9.915 4 CA-C-N 129.584 6.692 . . . . 4.53 125.458 -179.948 . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 1.428 ' CG2' ' CA ' ' A' ' 22' ' ' THR . 8.8 p -141.15 34.76 1.71 Allowed 'General case' 3 C--O 1.061 -8.865 0 O-C-N 119.919 -1.738 . . . . 2.65 112.906 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 1.439 ' ND2' ' CB ' ' A' ' 23' ' ' ASN . 1.5 m120 -150.16 163.23 38.75 Favored 'General case' 0 C--N 1.254 -3.565 0 CA-C-N 123.016 2.643 . . . . 3.09 113.706 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 1.388 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 57.9 m -121.22 155.5 34.46 Favored 'General case' 0 C--N 1.277 -2.551 0 O-C-N 120.817 -1.177 . . . . 1.35 109.611 179.789 -74.55 -107.808 -62.126 129.349 1.404 167.302 -74.56 -65.896 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 1.637 ' HD1' ' CE2' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -151.88 168.73 24.2 Favored 'General case' 1 C--O 1.143 -4.552 0 O-C-N 120.781 -1.199 . . . . 4.05 111.087 -179.887 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 1.615 ' HG2' ' CB ' ' A' ' 26' ' ' LYS . 13.3 ttpt -138.93 124.51 19.5 Favored 'General case' 0 C--N 1.257 -3.436 0 O-C-N 119.232 -2.168 . . . . 3.37 109.479 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 1.633 ' HD3' ' CG ' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -127.02 145.21 50.8 Favored 'General case' 0 C--N 1.28 -2.427 0 O-C-N 120.441 -1.412 . . . . 2.84 111.037 -179.44 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 1.541 ' HE ' ' CZ ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -154.46 150.88 28.31 Favored 'General case' 0 C--N 1.279 -2.499 0 O-C-N 120.62 -1.3 . . . . 3.56 109.979 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.623 ' CD1' ' N ' ' A' ' 29' ' ' TRP . 0.0 OUTLIER -159.6 -179.33 7.79 Favored 'General case' 1 C--O 1.106 -6.454 0 CA-C-O 124.305 2.003 . . . . 2.22 109.522 -178.938 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 1.641 ' HD3' ' CG ' ' A' ' 30' ' ' ARG . 0.8 OUTLIER -137.85 111.05 7.87 Favored 'General case' 3 C--O 1.071 -8.33 1 O-C-N 115.198 -4.689 . . . . 5.07 111.482 179.715 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.705 ' O ' ' N ' ' A' ' 34' ' ' GLY . 5.3 m-20 -138.61 171.7 13.96 Favored 'General case' 4 C--O 0.841 -20.404 0 O-C-N 119.146 -2.221 . . . . 3.21 109.605 -179.856 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 1.659 ' HB2' ' CG ' ' A' ' 32' ' ' HIS 0.763 0.9 OUTLIER 29.18 -36.62 0.0 OUTLIER 'General case' 4 C--O 0.831 -20.924 4 O-C-N 107.182 -9.699 . . . . 5.99 135.833 179.704 . . . . . . . . 6 4 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 1.601 ' HD2' ' CZ ' ' A' ' 33' ' ' ARG 0.519 6.2 mtt180 -126.56 -50.54 1.5 Allowed 'General case' 4 C--O 0.732 -26.175 3 CA-C-O 91.964 -13.398 . . . . 6.06 86.029 179.664 . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.705 ' N ' ' O ' ' A' ' 31' ' ' ASP . . . 128.48 -3.51 6.64 Favored Glycine 4 C--O 0.57 -41.397 5 CA-C-N 138.382 9.628 . . . . 2.88 128.692 179.877 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 1.696 ' HB2' ' CD1' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -149.58 116.44 5.94 Favored 'General case' 1 C--N 0.884 -19.661 3 O-C-N 76.313 -27.581 . . . . 5.29 112.322 -179.804 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 1.562 ' HD2' ' CG ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -143.59 123.93 13.86 Favored 'General case' 0 C--N 1.261 -3.249 0 O-C-N 120.888 -1.133 . . . . 4.54 110.186 179.732 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 1.233 ' HG1' ' CB ' ' A' ' 37' ' ' THR . 43.8 p -129.21 143.44 50.85 Favored 'General case' 0 C--O 1.182 -2.48 0 O-C-N 120.368 -1.458 . . . . 1.71 110.258 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 1.546 ' HG3' ' CB ' ' A' ' 38' ' ' GLU . 3.9 mt-10 -148.97 142.52 25.37 Favored 'General case' 0 C--N 1.285 -2.238 0 O-C-N 120.73 -1.231 . . . . 2.56 110.044 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 1.631 ' HG3' ' CB ' ' A' ' 39' ' ' ARG . 12.8 mtt180 -142.91 94.93 2.69 Favored 'General case' 0 C--O 1.155 -3.872 0 C-N-CA 119.473 -0.891 . . . . 5.26 110.212 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -122.02 -133.72 4.35 Favored Glycine 1 C--O 0.786 -27.851 1 CA-C-O 133.321 7.067 . . . . 1.7 109.965 179.781 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 1.42 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -112.93 152.42 29.36 Favored 'General case' 1 C--N 0.937 -17.359 3 O-C-N 89.568 -19.783 . . . . 1.55 110.136 -179.901 -22.928 177.577 70.689 155.146 1.442 147.733 142.002 -82.915 5 4 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.548 ' O ' ' HB2' ' A' ' 43' ' ' CYS . . . 138.91 -158.1 25.04 Favored Glycine 2 C--O 1.069 -10.186 0 O-C-N 119.123 -2.235 . . . . 0.98 111.018 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 1.324 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 0.3 OUTLIER 168.49 15.66 0.0 OUTLIER Pre-proline 2 C--O 0.821 -21.458 2 CA-C-O 132.768 6.033 . . . . 1.43 109.965 179.778 -137.604 31.502 -74.922 161.93 1.331 145.08 131.954 -160.505 5 4 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 1.247 ' C ' ' H ' ' A' ' 45' ' ' SER 0.656 10.9 Cg_endo -76.85 179.44 6.49 Favored 'Trans proline' 3 C--O 0.468 -38.01 5 CA-C-O 64.151 -23.354 . . . . 3.48 126.287 179.405 . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 1.48 ' HA ' ' C ' ' A' ' 45' ' ' SER 1.406 0.1 OUTLIER -161.55 172.02 17.09 Favored 'General case' 4 C--O 0.435 -41.802 5 CA-C-O 171.365 24.412 . . . . 4.04 168.575 -179.71 . . . . . . . . 6 4 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 1.549 HG21 ' CA ' ' A' ' 46' ' ' VAL 0.832 1.9 t 129.52 133.5 0.0 OUTLIER 'Isoleucine or valine' 4 C--N 0.551 -34.146 5 O-C-N 15.481 -67.012 . . . . 4.29 135.923 -179.083 . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 1.619 ' HG3' ' CA ' ' A' ' 47' ' ' LYS 0.389 14.6 mttt 171.67 -169.76 0.03 OUTLIER 'General case' 4 C--O 0.9 -17.321 3 CA-C-N 142.151 11.341 . . . . 6.84 120.006 -179.805 . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 1.316 ' CG ' ' CA ' ' A' ' 48' ' ' ASN . 23.0 t30 -172.29 120.84 0.43 Allowed 'General case' 3 C--N 1.093 -10.55 2 O-C-N 112.328 -6.483 . . . . 3.57 112.403 179.832 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.95 -39.28 2.89 Favored Glycine 2 C--N 1.242 -4.653 0 O-C-N 119.921 -1.737 . . . . 1.25 109.264 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 1.631 HD11 ' CG1' ' A' ' 50' ' ' ILE . 8.9 pt -78.9 -176.16 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.258 -3.382 0 O-C-N 119.933 -1.922 . . . . 2.07 109.955 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 1.28 ' HG2' ' CD ' ' A' ' 51' ' ' GLU . 1.6 tt0 -110.54 126.34 54.31 Favored 'General case' 0 C--N 1.29 -2.01 0 O-C-N 121.015 -1.053 . . . . 2.27 110.089 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 1.558 HG12 ' CB ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -138.76 148.61 24.11 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.169 0 O-C-N 121.049 -1.032 . . . . 2.12 109.57 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 1.318 ' ND2' ' CB ' ' A' ' 53' ' ' ASN . 0.9 OUTLIER -153.45 118.03 4.96 Favored 'General case' 0 C--N 1.294 -1.814 0 O-C-N 120.825 -1.172 . . . . 2.12 110.147 179.831 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 1.324 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 6.8 t -102.24 142.93 32.69 Favored 'General case' 0 C--O 1.193 -1.905 0 O-C-N 121.075 -1.015 . . . . 1.03 109.617 -179.995 -160.505 131.954 -74.922 145.08 1.331 161.93 31.502 -137.604 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 39.8 t -158.33 140.58 14.18 Favored 'General case' 1 C--O 1.126 -5.412 0 CA-C-O 122.872 1.32 . . . . 1.39 109.854 179.955 -172.565 -134.569 70.283 123.412 1.837 121.679 -158.291 175.891 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.631 HG21 ' HA ' ' A' ' 23' ' ' ASN . 1.6 p -138.78 78.61 1.69 Allowed 'General case' 1 C--N 1.217 -5.172 0 O-C-N 116.878 -3.639 . . . . 1.45 109.785 -179.912 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 1.492 HG23 ' CB ' ' A' ' 57' ' ' THR . 0.0 OUTLIER -141.47 58.81 1.51 Allowed 'General case' 1 C--O 0.765 -24.405 1 CA-C-O 133.283 6.278 . . . . 2.43 109.481 179.835 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 1.387 ' OD1' ' CB ' ' A' ' 58' ' ' ASP . 6.3 m-20 54.06 105.69 0.01 OUTLIER 'General case' 1 C--N 0.937 -17.351 3 O-C-N 88.401 -21.437 . . . . 2.38 109.189 -179.568 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 1.652 ' CZ ' ' CD ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER 46.91 64.74 1.43 Allowed 'General case' 0 C--O 1.171 -3.073 0 O-C-N 121.166 -0.959 . . . . 4.22 110.535 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.447 ' O ' ' SG ' ' A' ' 60' ' ' CYS . 42.0 t -96.79 -2.57 43.93 Favored 'General case' 1 C--O 1.138 -4.777 0 O-C-N 119.721 -1.862 . . . . 1.42 110.391 -179.917 175.891 -158.291 70.283 121.679 1.837 123.412 -134.569 -172.565 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 1.514 ' CG ' ' CA ' ' A' ' 61' ' ' ASN . 3.4 p30 -83.56 85.63 7.23 Favored 'General case' 1 C--O 0.934 -15.505 0 CA-C-O 128.33 3.919 . . . . 3.79 110.669 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 1.517 ' HB3' ' CA ' ' A' ' 62' ' ' ASN 1.033 1.3 t-20 . . . . . 3 CA--C 0.538 -37.971 3 CA-C-O 158.923 18.487 . . . . 3.49 129.209 179.972 . . . . . . . . 4 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 1.36 ' HG ' ' CA ' ' A' ' 1' ' ' LEU 0.292 2.9 tt . . . . . 2 N--CA 1.289 -8.523 0 N-CA-C 115.195 1.554 . . . . 2.63 115.195 . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 1.445 ' OE2' ' CG ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -146.09 137.6 24.81 Favored 'General case' 0 C--N 1.257 -3.436 0 O-C-N 120.016 -1.677 . . . . 2.43 111.792 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.387 ' SG ' ' SG ' ' A' ' 24' ' ' CYS . 96.8 m -118.3 165.97 13.19 Favored 'General case' 0 C--N 1.281 -2.374 0 O-C-N 120.945 -1.097 . . . . 1.17 109.928 179.858 -65.896 -74.56 -62.126 167.302 1.404 129.349 -107.808 -74.55 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -104.73 149.32 25.7 Favored 'General case' 1 C--O 1.134 -4.991 0 O-C-N 120.524 -1.36 . . . . 2.9 109.805 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 1.07 ' CG ' ' HB2' ' A' ' 5' ' ' ASN . 10.6 t-20 -120.28 147.35 45.1 Favored 'General case' 1 C--O 0.948 -14.778 1 CA-C-O 129.049 4.262 . . . . 2.01 110.633 -179.845 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 1.375 ' CB ' ' CD ' ' A' ' 6' ' ' GLN . 0.9 OUTLIER -159.09 114.99 2.58 Favored 'General case' 2 C--O 0.869 -18.971 3 O-C-N 103.827 -11.796 . . . . 2.96 111.467 179.82 . . . . . . . . 5 4 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.469 ' O ' ' C ' ' A' ' 8' ' ' SER . 0.2 OUTLIER -70.87 121.74 18.64 Favored 'General case' 2 C--N 0.939 -17.265 3 O-C-N 97.896 -15.503 . . . . 3.15 110.314 -179.744 . . . . . . . . 5 4 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . 1.199 ' C ' ' CA ' ' A' ' 9' ' ' SER . 0.1 OUTLIER 35.74 89.08 0.01 OUTLIER 'General case' 2 C--O 0.509 -37.904 3 CA-C-O 166.038 21.875 . . . . 2.21 109.862 179.73 . . . . . . . . 5 4 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . 1.38 ' O ' ' CA ' ' A' ' 10' ' ' GLN . 10.3 t 29.99 60.98 0.18 Allowed 'General case' 2 C--O 0.462 -40.381 4 O-C-N 25.508 -60.745 . . . . 3.02 114.039 179.611 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 1.419 ' CD ' ' CB ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -129.84 -106.22 0.29 Allowed 'General case' 2 C--N 0.727 -26.461 3 O-C-N 20.259 -64.026 . . . . 3.74 114.493 179.344 . . . . . . . . 5 4 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.05 123.05 42.16 Favored Pre-proline 2 C--N 0.98 -15.471 3 O-C-N 99.946 -14.222 . . . . 2.0 112.339 179.788 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.595 ' HA ' ' HB3' ' A' ' 6' ' ' GLN . 35.2 Cg_endo -78.08 130.85 10.55 Favored 'Trans proline' 1 C--N 1.234 -5.451 0 C-N-CA 123.228 2.619 . . . . 1.6 113.324 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.41 -177.97 3.27 Favored 'General case' 0 C--N 1.251 -3.682 0 O-C-N 120.424 -1.422 . . . . 1.51 110.409 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -125.41 137.8 54.01 Favored 'General case' 1 C--O 1.104 -6.594 0 O-C-N 119.731 -1.855 . . . . 1.9 110.306 -179.896 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . 1.554 ' CG2' ' CA ' ' A' ' 15' ' ' THR . 1.2 p -137.92 122.2 18.17 Favored 'General case' 2 C--O 0.971 -13.579 0 O-C-N 118.266 -2.771 . . . . 2.12 116.087 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.65 114.21 4.83 Favored Glycine 3 C--O 0.854 -23.608 2 CA-C-O 128.943 4.635 . . . . 1.72 116.318 179.902 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 1.42 ' SG ' ' SG ' ' A' ' 41' ' ' CYS 0.371 12.1 m -85.21 130.78 34.54 Favored 'General case' 3 C--O 0.81 -22.039 3 O-C-N 100.201 -13.529 . . . . 2.25 117.36 -179.796 -82.915 142.002 70.689 147.733 1.442 155.146 177.577 -22.928 5 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . 1.366 ' C ' ' CA ' ' A' ' 19' ' ' GLY 0.547 0.3 OUTLIER -156.26 74.12 0.83 Allowed 'General case' 4 C--O 0.472 -39.858 4 CA-C-O 162.14 20.019 . . . . 4.17 125.389 179.913 . . . . . . . . 6 4 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 1.366 ' CA ' ' C ' ' A' ' 18' ' ' SER . . . -167.19 12.23 0.06 OUTLIER Glycine 4 C--N 0.65 -37.551 3 O-C-N 32.286 -56.509 . . . . 2.91 119.646 179.705 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.57 ' N ' ' C ' ' A' ' 18' ' ' SER . . . 161.54 -39.6 0.4 Allowed Glycine 4 N--CA 1.053 -26.839 2 C-N-CA 110.368 -5.682 . . . . 2.16 109.969 -179.886 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . 0.483 79.2 mt-10 -82.07 151.38 27.07 Favored 'General case' 4 C--N 1.108 -9.915 4 CA-C-N 129.584 6.692 . . . . 4.53 125.458 -179.948 . . . . . . . . 4 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 1.428 ' CG2' ' CA ' ' A' ' 22' ' ' THR . 8.8 p -141.15 34.76 1.71 Allowed 'General case' 3 C--O 1.061 -8.865 0 O-C-N 119.919 -1.738 . . . . 2.21 112.906 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 1.439 ' ND2' ' CB ' ' A' ' 23' ' ' ASN . 1.5 m120 -150.16 163.23 38.75 Favored 'General case' 0 C--N 1.254 -3.565 0 CA-C-N 123.016 2.643 . . . . 2.6 113.706 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 1.387 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 57.9 m -121.22 155.5 34.46 Favored 'General case' 0 C--N 1.277 -2.551 0 O-C-N 120.817 -1.177 . . . . 1.35 109.611 179.789 -74.55 -107.808 -62.126 129.349 1.404 167.302 -74.56 -65.896 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -151.88 168.73 24.2 Favored 'General case' 1 C--O 1.143 -4.552 0 O-C-N 120.781 -1.199 . . . . 3.63 111.087 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 1.536 ' CE ' ' CG ' ' A' ' 26' ' ' LYS . 13.3 ttpt -138.93 124.51 19.5 Favored 'General case' 0 C--N 1.257 -3.436 0 O-C-N 119.232 -2.168 . . . . 2.84 109.479 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 1.574 ' CB ' ' CD ' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -127.02 145.21 50.8 Favored 'General case' 0 C--N 1.28 -2.427 0 O-C-N 120.441 -1.412 . . . . 2.4 111.037 -179.44 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 1.53 ' CD ' ' CZ ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -154.46 150.88 28.31 Favored 'General case' 0 C--N 1.279 -2.499 0 O-C-N 120.62 -1.3 . . . . 3.08 109.979 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.623 ' CD1' ' N ' ' A' ' 29' ' ' TRP . 0.0 OUTLIER -159.6 -179.33 7.79 Favored 'General case' 1 C--O 1.106 -6.454 0 CA-C-O 124.305 2.003 . . . . 1.74 109.522 -178.938 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.446 ' N ' ' HG3' ' A' ' 30' ' ' ARG . 0.8 OUTLIER -137.85 111.05 7.87 Favored 'General case' 3 C--O 1.071 -8.33 1 O-C-N 115.198 -4.689 . . . . 4.48 111.482 179.715 . . . . . . . . 5 4 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.705 ' O ' ' N ' ' A' ' 34' ' ' GLY . 5.3 m-20 -138.61 171.7 13.96 Favored 'General case' 4 C--O 0.841 -20.404 0 O-C-N 119.146 -2.221 . . . . 3.21 109.605 -179.856 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.405 ' HB3' ' HG3' ' A' ' 33' ' ' ARG 0.763 0.9 OUTLIER 29.18 -36.62 0.0 OUTLIER 'General case' 4 C--O 0.831 -20.924 4 O-C-N 107.182 -9.699 . . . . 5.37 135.833 179.704 . . . . . . . . 6 4 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.663 ' CZ ' HH11 ' A' ' 33' ' ' ARG 0.519 6.2 mtt180 -126.56 -50.54 1.5 Allowed 'General case' 4 C--O 0.732 -26.175 3 CA-C-O 91.964 -13.398 . . . . 5.5 86.029 179.664 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.705 ' N ' ' O ' ' A' ' 31' ' ' ASP . . . 128.48 -3.51 6.64 Favored Glycine 4 C--O 0.57 -41.397 5 CA-C-N 138.382 9.628 . . . . 2.55 128.692 179.877 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -149.58 116.44 5.94 Favored 'General case' 1 C--N 0.884 -19.661 3 O-C-N 76.313 -27.581 . . . . 5.1 112.322 -179.804 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 1.393 ' CD ' ' CB ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -143.59 123.93 13.86 Favored 'General case' 0 C--N 1.261 -3.249 0 O-C-N 120.888 -1.133 . . . . 3.98 110.186 179.732 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.699 ' OG1' ' HA ' ' A' ' 8' ' ' SER . 43.8 p -129.21 143.44 50.85 Favored 'General case' 0 C--O 1.182 -2.48 0 O-C-N 120.368 -1.458 . . . . 1.2 110.258 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 1.43 ' CB ' ' CD ' ' A' ' 38' ' ' GLU . 3.9 mt-10 -148.97 142.52 25.37 Favored 'General case' 0 C--N 1.285 -2.238 0 O-C-N 120.73 -1.231 . . . . 2.56 110.044 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 1.203 ' CG ' ' CA ' ' A' ' 39' ' ' ARG . 12.8 mtt180 -142.91 94.93 2.69 Favored 'General case' 0 C--O 1.155 -3.872 0 C-N-CA 119.473 -0.891 . . . . 4.51 110.212 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -122.02 -133.72 4.35 Favored Glycine 1 C--O 0.786 -27.851 1 CA-C-O 133.321 7.067 . . . . 1.7 109.965 179.781 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 1.42 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -112.93 152.42 29.36 Favored 'General case' 1 C--N 0.937 -17.359 3 O-C-N 89.568 -19.783 . . . . 1.32 110.136 -179.901 -22.928 177.577 70.689 155.146 1.442 147.733 142.002 -82.915 5 4 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.603 ' O ' ' HB2' ' A' ' 43' ' ' CYS . . . 138.91 -158.1 25.04 Favored Glycine 2 C--O 1.069 -10.186 0 O-C-N 119.123 -2.235 . . . . 0.9 111.018 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 1.324 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 0.3 OUTLIER 168.49 15.66 0.0 OUTLIER Pre-proline 2 C--O 0.821 -21.458 2 CA-C-O 132.768 6.033 . . . . 1.43 109.965 179.778 -137.604 31.502 -74.922 161.93 1.331 145.08 131.954 -160.505 5 4 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.913 ' O ' ' HB3' ' A' ' 45' ' ' SER 0.656 10.9 Cg_endo -76.85 179.44 6.49 Favored 'Trans proline' 3 C--O 0.468 -38.01 5 CA-C-O 64.151 -23.354 . . . . 2.77 126.287 179.405 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.913 ' HB3' ' O ' ' A' ' 44' ' ' PRO 1.406 0.1 OUTLIER -161.55 172.02 17.09 Favored 'General case' 4 C--O 0.435 -41.802 5 CA-C-O 171.365 24.412 . . . . 3.41 168.575 -179.71 . . . . . . . . 6 4 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 1.017 ' O ' HG12 ' A' ' 46' ' ' VAL 0.832 1.9 t 129.52 133.5 0.0 OUTLIER 'Isoleucine or valine' 4 C--N 0.551 -34.146 5 O-C-N 15.481 -67.012 . . . . 3.72 135.923 -179.083 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.944 ' CD ' HD11 ' A' ' 50' ' ' ILE 0.389 14.6 mttt 171.67 -169.76 0.03 OUTLIER 'General case' 4 C--O 0.9 -17.321 3 CA-C-N 142.151 11.341 . . . . 6.35 120.006 -179.805 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 1.316 ' CG ' ' CA ' ' A' ' 48' ' ' ASN . 23.0 t30 -172.29 120.84 0.43 Allowed 'General case' 3 C--N 1.093 -10.55 2 O-C-N 112.328 -6.483 . . . . 3.12 112.403 179.832 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.95 -39.28 2.89 Favored Glycine 2 C--N 1.242 -4.653 0 O-C-N 119.921 -1.737 . . . . 1.09 109.264 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.944 HD11 ' CD ' ' A' ' 47' ' ' LYS . 8.9 pt -78.9 -176.16 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.258 -3.382 0 O-C-N 119.933 -1.922 . . . . 1.58 109.955 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 1.225 ' CD ' ' CB ' ' A' ' 51' ' ' GLU . 1.6 tt0 -110.54 126.34 54.31 Favored 'General case' 0 C--N 1.29 -2.01 0 O-C-N 121.015 -1.053 . . . . 2.27 110.089 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.633 ' N ' HD13 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -138.76 148.61 24.11 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.169 0 O-C-N 121.049 -1.032 . . . . 1.38 109.57 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 1.318 ' ND2' ' CB ' ' A' ' 53' ' ' ASN . 0.9 OUTLIER -153.45 118.03 4.96 Favored 'General case' 0 C--N 1.294 -1.814 0 O-C-N 120.825 -1.172 . . . . 1.78 110.147 179.831 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 1.324 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 6.8 t -102.24 142.93 32.69 Favored 'General case' 0 C--O 1.193 -1.905 0 O-C-N 121.075 -1.015 . . . . 0.95 109.617 -179.995 -160.505 131.954 -74.922 145.08 1.331 161.93 31.502 -137.604 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 39.8 t -158.33 140.58 14.18 Favored 'General case' 1 C--O 1.126 -5.412 0 CA-C-O 122.872 1.32 . . . . 1.39 109.854 179.955 -172.565 -134.569 70.283 123.412 1.837 121.679 -158.291 175.891 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.771 HG22 ' HA ' ' A' ' 23' ' ' ASN . 1.6 p -138.78 78.61 1.69 Allowed 'General case' 1 C--N 1.217 -5.172 0 O-C-N 116.878 -3.639 . . . . 1.17 109.785 -179.912 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.47 58.81 1.51 Allowed 'General case' 1 C--O 0.765 -24.405 1 CA-C-O 133.283 6.278 . . . . 1.82 109.481 179.835 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 1.387 ' OD1' ' CB ' ' A' ' 58' ' ' ASP . 6.3 m-20 54.06 105.69 0.01 OUTLIER 'General case' 1 C--N 0.937 -17.351 3 O-C-N 88.401 -21.437 . . . . 2.38 109.189 -179.568 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 1.652 ' CZ ' ' CD ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER 46.91 64.74 1.43 Allowed 'General case' 0 C--O 1.171 -3.073 0 O-C-N 121.166 -0.959 . . . . 3.65 110.535 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.447 ' O ' ' SG ' ' A' ' 60' ' ' CYS . 42.0 t -96.79 -2.57 43.93 Favored 'General case' 1 C--O 1.138 -4.777 0 O-C-N 119.721 -1.862 . . . . 1.41 110.391 -179.917 175.891 -158.291 70.283 121.679 1.837 123.412 -134.569 -172.565 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 1.514 ' CG ' ' CA ' ' A' ' 61' ' ' ASN . 3.4 p30 -83.56 85.63 7.23 Favored 'General case' 1 C--O 0.934 -15.505 0 CA-C-O 128.33 3.919 . . . . 2.96 110.669 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . 1.033 1.3 t-20 . . . . . 3 CA--C 0.538 -37.971 3 CA-C-O 158.923 18.487 . . . . 3.49 129.209 179.972 . . . . . . . . 3 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 1.36 ' HG ' ' CA ' ' A' ' 1' ' ' LEU 0.292 2.9 tt . . . . . 2 N--CA 1.289 -8.523 0 N-CA-C 115.195 1.554 . . . . 2.63 115.195 . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 1.445 ' OE2' ' CG ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -146.09 137.6 24.81 Favored 'General case' 0 C--N 1.257 -3.436 0 O-C-N 120.016 -1.677 . . . . 2.43 111.792 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.387 ' SG ' ' SG ' ' A' ' 24' ' ' CYS . 96.8 m -118.3 165.97 13.19 Favored 'General case' 0 C--N 1.281 -2.374 0 O-C-N 120.945 -1.097 . . . . 1.17 109.928 179.858 -65.896 -74.56 -62.126 167.302 1.404 129.349 -107.808 -74.55 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 19.7 m170 -104.73 149.32 25.7 Favored 'General case' 1 C--O 1.134 -4.991 0 O-C-N 120.524 -1.36 . . . . 2.9 109.805 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 1.07 ' CG ' ' HB2' ' A' ' 5' ' ' ASN . 10.6 t-20 -120.28 147.35 45.1 Favored 'General case' 1 C--O 0.948 -14.778 1 CA-C-O 129.049 4.262 . . . . 2.01 110.633 -179.845 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 1.375 ' CB ' ' CD ' ' A' ' 6' ' ' GLN . 0.9 OUTLIER -159.09 114.99 2.58 Favored 'General case' 2 C--O 0.869 -18.971 3 O-C-N 103.827 -11.796 . . . . 2.96 111.467 179.82 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.469 ' O ' ' C ' ' A' ' 8' ' ' SER . 0.2 OUTLIER -70.87 121.74 18.64 Favored 'General case' 2 C--N 0.939 -17.265 3 O-C-N 97.896 -15.503 . . . . 3.15 110.314 -179.744 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 1.199 ' C ' ' CA ' ' A' ' 9' ' ' SER . 0.1 OUTLIER 35.74 89.08 0.01 OUTLIER 'General case' 2 C--O 0.509 -37.904 3 CA-C-O 166.038 21.875 . . . . 2.21 109.862 179.73 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 1.38 ' O ' ' CA ' ' A' ' 10' ' ' GLN . 10.3 t 29.99 60.98 0.18 Allowed 'General case' 2 C--O 0.462 -40.381 4 O-C-N 25.508 -60.745 . . . . 3.02 114.039 179.611 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 1.419 ' CD ' ' CB ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -129.84 -106.22 0.29 Allowed 'General case' 2 C--N 0.727 -26.461 3 O-C-N 20.259 -64.026 . . . . 3.74 114.493 179.344 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.05 123.05 42.16 Favored Pre-proline 2 C--N 0.98 -15.471 3 O-C-N 99.946 -14.222 . . . . 2.0 112.339 179.788 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.595 ' HA ' ' HB3' ' A' ' 6' ' ' GLN . 35.2 Cg_endo -78.08 130.85 10.55 Favored 'Trans proline' 1 C--N 1.234 -5.451 0 C-N-CA 123.228 2.619 . . . . 1.6 113.324 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.41 -177.97 3.27 Favored 'General case' 0 C--N 1.251 -3.682 0 O-C-N 120.424 -1.422 . . . . 1.51 110.409 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -125.41 137.8 54.01 Favored 'General case' 1 C--O 1.104 -6.594 0 O-C-N 119.731 -1.855 . . . . 1.9 110.306 -179.896 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 1.554 ' CG2' ' CA ' ' A' ' 15' ' ' THR . 1.2 p -137.92 122.2 18.17 Favored 'General case' 2 C--O 0.971 -13.579 0 O-C-N 118.266 -2.771 . . . . 2.12 116.087 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.65 114.21 4.83 Favored Glycine 3 C--O 0.854 -23.608 2 CA-C-O 128.943 4.635 . . . . 1.72 116.318 179.902 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 1.42 ' SG ' ' SG ' ' A' ' 41' ' ' CYS 0.371 12.1 m -85.21 130.78 34.54 Favored 'General case' 3 C--O 0.81 -22.039 3 O-C-N 100.201 -13.529 . . . . 2.25 117.36 -179.796 -82.915 142.002 70.689 147.733 1.442 155.146 177.577 -22.928 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 1.366 ' C ' ' CA ' ' A' ' 19' ' ' GLY 0.547 0.3 OUTLIER -156.26 74.12 0.83 Allowed 'General case' 4 C--O 0.472 -39.858 4 CA-C-O 162.14 20.019 . . . . 4.17 125.389 179.913 . . . . . . . . 6 4 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 1.366 ' CA ' ' C ' ' A' ' 18' ' ' SER . . . -167.19 12.23 0.06 OUTLIER Glycine 4 C--N 0.65 -37.551 3 O-C-N 32.286 -56.509 . . . . 2.91 119.646 179.705 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.57 ' N ' ' C ' ' A' ' 18' ' ' SER . . . 161.54 -39.6 0.4 Allowed Glycine 4 N--CA 1.053 -26.839 2 C-N-CA 110.368 -5.682 . . . . 2.16 109.969 -179.886 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . 0.483 79.2 mt-10 -82.07 151.38 27.07 Favored 'General case' 4 C--N 1.108 -9.915 4 CA-C-N 129.584 6.692 . . . . 4.53 125.458 -179.948 . . . . . . . . 4 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 1.428 ' CG2' ' CA ' ' A' ' 22' ' ' THR . 8.8 p -141.15 34.76 1.71 Allowed 'General case' 3 C--O 1.061 -8.865 0 O-C-N 119.919 -1.738 . . . . 2.21 112.906 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 1.439 ' ND2' ' CB ' ' A' ' 23' ' ' ASN . 1.5 m120 -150.16 163.23 38.75 Favored 'General case' 0 C--N 1.254 -3.565 0 CA-C-N 123.016 2.643 . . . . 2.6 113.706 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 1.387 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 57.9 m -121.22 155.5 34.46 Favored 'General case' 0 C--N 1.277 -2.551 0 O-C-N 120.817 -1.177 . . . . 1.35 109.611 179.789 -74.55 -107.808 -62.126 129.349 1.404 167.302 -74.56 -65.896 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -151.88 168.73 24.2 Favored 'General case' 1 C--O 1.143 -4.552 0 O-C-N 120.781 -1.199 . . . . 3.63 111.087 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 1.536 ' CE ' ' CG ' ' A' ' 26' ' ' LYS . 13.3 ttpt -138.93 124.51 19.5 Favored 'General case' 0 C--N 1.257 -3.436 0 O-C-N 119.232 -2.168 . . . . 2.84 109.479 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 1.574 ' CB ' ' CD ' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -127.02 145.21 50.8 Favored 'General case' 0 C--N 1.28 -2.427 0 O-C-N 120.441 -1.412 . . . . 2.4 111.037 -179.44 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 1.53 ' CD ' ' CZ ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -154.46 150.88 28.31 Favored 'General case' 0 C--N 1.279 -2.499 0 O-C-N 120.62 -1.3 . . . . 3.08 109.979 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.623 ' CD1' ' N ' ' A' ' 29' ' ' TRP . 0.0 OUTLIER -159.6 -179.33 7.79 Favored 'General case' 1 C--O 1.106 -6.454 0 CA-C-O 124.305 2.003 . . . . 1.74 109.522 -178.938 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.446 ' N ' ' HG3' ' A' ' 30' ' ' ARG . 0.8 OUTLIER -137.85 111.05 7.87 Favored 'General case' 3 C--O 1.071 -8.33 1 O-C-N 115.198 -4.689 . . . . 4.48 111.482 179.715 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.705 ' O ' ' N ' ' A' ' 34' ' ' GLY . 5.3 m-20 -138.61 171.7 13.96 Favored 'General case' 4 C--O 0.841 -20.404 0 O-C-N 119.146 -2.221 . . . . 3.21 109.605 -179.856 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.405 ' HB3' ' HG3' ' A' ' 33' ' ' ARG 0.763 0.9 OUTLIER 29.18 -36.62 0.0 OUTLIER 'General case' 4 C--O 0.831 -20.924 4 O-C-N 107.182 -9.699 . . . . 5.37 135.833 179.704 . . . . . . . . 6 4 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.663 ' CZ ' HH11 ' A' ' 33' ' ' ARG 0.519 6.2 mtt180 -126.56 -50.54 1.5 Allowed 'General case' 4 C--O 0.732 -26.175 3 CA-C-O 91.964 -13.398 . . . . 5.5 86.029 179.664 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.705 ' N ' ' O ' ' A' ' 31' ' ' ASP . . . 128.48 -3.51 6.64 Favored Glycine 4 C--O 0.57 -41.397 5 CA-C-N 138.382 9.628 . . . . 2.55 128.692 179.877 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -149.58 116.44 5.94 Favored 'General case' 1 C--N 0.884 -19.661 3 O-C-N 76.313 -27.581 . . . . 5.1 112.322 -179.804 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 1.393 ' CD ' ' CB ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -143.59 123.93 13.86 Favored 'General case' 0 C--N 1.261 -3.249 0 O-C-N 120.888 -1.133 . . . . 3.98 110.186 179.732 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.699 ' OG1' ' HA ' ' A' ' 8' ' ' SER . 43.8 p -129.21 143.44 50.85 Favored 'General case' 0 C--O 1.182 -2.48 0 O-C-N 120.368 -1.458 . . . . 1.2 110.258 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 1.43 ' CB ' ' CD ' ' A' ' 38' ' ' GLU . 3.9 mt-10 -148.97 142.52 25.37 Favored 'General case' 0 C--N 1.285 -2.238 0 O-C-N 120.73 -1.231 . . . . 2.56 110.044 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 1.203 ' CG ' ' CA ' ' A' ' 39' ' ' ARG . 12.8 mtt180 -142.91 94.93 2.69 Favored 'General case' 0 C--O 1.155 -3.872 0 C-N-CA 119.473 -0.891 . . . . 4.51 110.212 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -122.02 -133.72 4.35 Favored Glycine 1 C--O 0.786 -27.851 1 CA-C-O 133.321 7.067 . . . . 1.7 109.965 179.781 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 1.42 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -112.93 152.42 29.36 Favored 'General case' 1 C--N 0.937 -17.359 3 O-C-N 89.568 -19.783 . . . . 1.32 110.136 -179.901 -22.928 177.577 70.689 155.146 1.442 147.733 142.002 -82.915 5 4 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.603 ' O ' ' HB2' ' A' ' 43' ' ' CYS . . . 138.91 -158.1 25.04 Favored Glycine 2 C--O 1.069 -10.186 0 O-C-N 119.123 -2.235 . . . . 0.9 111.018 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 1.324 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 0.3 OUTLIER 168.49 15.66 0.0 OUTLIER Pre-proline 2 C--O 0.821 -21.458 2 CA-C-O 132.768 6.033 . . . . 1.43 109.965 179.778 -137.604 31.502 -74.922 161.93 1.331 145.08 131.954 -160.505 5 4 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.913 ' O ' ' HB3' ' A' ' 45' ' ' SER 0.656 10.9 Cg_endo -76.85 179.44 6.49 Favored 'Trans proline' 3 C--O 0.468 -38.01 5 CA-C-O 64.151 -23.354 . . . . 2.77 126.287 179.405 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.913 ' HB3' ' O ' ' A' ' 44' ' ' PRO 1.406 0.1 OUTLIER -161.55 172.02 17.09 Favored 'General case' 4 C--O 0.435 -41.802 5 CA-C-O 171.365 24.412 . . . . 3.41 168.575 -179.71 . . . . . . . . 6 4 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 1.017 ' O ' HG12 ' A' ' 46' ' ' VAL 0.832 1.9 t 129.52 133.5 0.0 OUTLIER 'Isoleucine or valine' 4 C--N 0.551 -34.146 5 O-C-N 15.481 -67.012 . . . . 3.72 135.923 -179.083 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.944 ' CD ' HD11 ' A' ' 50' ' ' ILE 0.389 14.6 mttt 171.67 -169.76 0.03 OUTLIER 'General case' 4 C--O 0.9 -17.321 3 CA-C-N 142.151 11.341 . . . . 6.35 120.006 -179.805 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 1.316 ' CG ' ' CA ' ' A' ' 48' ' ' ASN . 23.0 t30 -172.29 120.84 0.43 Allowed 'General case' 3 C--N 1.093 -10.55 2 O-C-N 112.328 -6.483 . . . . 3.12 112.403 179.832 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.95 -39.28 2.89 Favored Glycine 2 C--N 1.242 -4.653 0 O-C-N 119.921 -1.737 . . . . 1.09 109.264 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.944 HD11 ' CD ' ' A' ' 47' ' ' LYS . 8.9 pt -78.9 -176.16 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.258 -3.382 0 O-C-N 119.933 -1.922 . . . . 1.58 109.955 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 1.225 ' CD ' ' CB ' ' A' ' 51' ' ' GLU . 1.6 tt0 -110.54 126.34 54.31 Favored 'General case' 0 C--N 1.29 -2.01 0 O-C-N 121.015 -1.053 . . . . 2.27 110.089 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.633 ' N ' HD13 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -138.76 148.61 24.11 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.169 0 O-C-N 121.049 -1.032 . . . . 1.38 109.57 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 1.318 ' ND2' ' CB ' ' A' ' 53' ' ' ASN . 0.9 OUTLIER -153.45 118.03 4.96 Favored 'General case' 0 C--N 1.294 -1.814 0 O-C-N 120.825 -1.172 . . . . 1.78 110.147 179.831 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 1.324 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 6.8 t -102.24 142.93 32.69 Favored 'General case' 0 C--O 1.193 -1.905 0 O-C-N 121.075 -1.015 . . . . 0.95 109.617 -179.995 -160.505 131.954 -74.922 145.08 1.331 161.93 31.502 -137.604 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 39.8 t -158.33 140.58 14.18 Favored 'General case' 1 C--O 1.126 -5.412 0 CA-C-O 122.872 1.32 . . . . 1.39 109.854 179.955 -172.565 -134.569 70.283 123.412 1.837 121.679 -158.291 175.891 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.771 HG22 ' HA ' ' A' ' 23' ' ' ASN . 1.6 p -138.78 78.61 1.69 Allowed 'General case' 1 C--N 1.217 -5.172 0 O-C-N 116.878 -3.639 . . . . 1.17 109.785 -179.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.47 58.81 1.51 Allowed 'General case' 1 C--O 0.765 -24.405 1 CA-C-O 133.283 6.278 . . . . 1.82 109.481 179.835 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 1.387 ' OD1' ' CB ' ' A' ' 58' ' ' ASP . 6.3 m-20 54.06 105.69 0.01 OUTLIER 'General case' 1 C--N 0.937 -17.351 3 O-C-N 88.401 -21.437 . . . . 2.38 109.189 -179.568 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 1.652 ' CZ ' ' CD ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER 46.91 64.74 1.43 Allowed 'General case' 0 C--O 1.171 -3.073 0 O-C-N 121.166 -0.959 . . . . 3.65 110.535 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.447 ' O ' ' SG ' ' A' ' 60' ' ' CYS . 42.0 t -96.79 -2.57 43.93 Favored 'General case' 1 C--O 1.138 -4.777 0 O-C-N 119.721 -1.862 . . . . 1.41 110.391 -179.917 175.891 -158.291 70.283 121.679 1.837 123.412 -134.569 -172.565 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 1.514 ' CG ' ' CA ' ' A' ' 61' ' ' ASN . 3.4 p30 -83.56 85.63 7.23 Favored 'General case' 1 C--O 0.934 -15.505 0 CA-C-O 128.33 3.919 . . . . 2.96 110.669 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . 1.033 1.3 t-20 . . . . . 3 CA--C 0.538 -37.971 3 CA-C-O 158.923 18.487 . . . . 3.49 129.209 179.972 . . . . . . . . 3 1 . 1 stop_ save_