data_1chv_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 1chv _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 ' S' S ' 1' ' ' LEU . . . . . 0.68 ' N ' ' SG ' ' S' ' 3' ' ' CYS . 1.1 tm? . . . . . 1 N--CA 1.372 -4.373 0 CA-C-O 124.563 2.125 . . . . 3.27 114.264 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 2' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -73.96 100.58 3.58 Favored 'General case' 0 C--N 1.421 3.706 0 C-N-CA 112.826 -3.55 . . . . 2.47 105.466 173.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 3' ' ' CYS . . . . . 0.68 ' SG ' ' N ' ' S' ' 1' ' ' LEU . 56.0 m -153.83 155.99 36.81 Favored 'General case' 0 C--N 1.407 3.092 0 O-C-N 119.149 -2.219 . . . . 0.7 111.404 -147.457 -75.307 168.078 87.029 94.969 2.118 108.588 -166.259 -64.029 2 2 . 1 . 001 nuclear orig full ' S' S ' 4' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -74.05 98.29 3.06 Favored 'General case' 0 CA--C 1.473 -2.013 0 O-C-N 124.683 1.24 . . . . 2.59 110.489 -170.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.11 103.78 15.75 Favored 'General case' 0 CA--C 1.505 -0.778 0 O-C-N 127.511 3.007 . . . . 3.3 105.354 -177.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 6' ' ' LEU . . . . . . . . . . . . . 4.8 tp 64.24 -138.31 0.29 Allowed 'General case' 0 C--N 1.388 2.271 0 O-C-N 128.373 3.545 . . . . 2.47 107.407 -147.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 7' ' ' VAL . . . . . . . . . . . . . 55.4 t -132.41 -60.55 0.02 OUTLIER Pre-proline 0 C--N 1.364 1.236 0 C-N-CA 116.948 -1.901 . . . . 1.44 112.747 -173.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 8' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -69.71 -10.11 27.79 Favored 'Trans proline' 0 N--CA 1.491 1.362 0 C-N-CA 113.727 -3.715 . . . . 1.83 117.497 -164.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 9' ' ' LEU . . . . . . . . . . . . . 22.3 mt -84.72 63.05 7.75 Favored 'General case' 0 CA--C 1.46 -2.497 0 CA-C-O 123.156 1.455 . . . . 2.79 109.917 165.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 10' ' ' PHE . . . . . 0.586 ' O ' ' NZ ' ' S' ' 12' ' ' LYS . 0.0 OUTLIER -73.05 128.38 35.31 Favored 'General case' 0 C--O 1.275 2.422 0 N-CA-C 115.719 1.748 . . . . 2.82 115.719 -164.31 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 11' ' ' TYR . . . . . . . . . . . . 0.278 20.6 p90 45.11 110.57 0.0 OUTLIER 'General case' 0 CA--C 1.579 2.061 0 O-C-N 127.991 3.307 . . . . 2.32 114.516 -172.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 12' ' ' LYS . . . . . 0.586 ' NZ ' ' O ' ' S' ' 10' ' ' PHE . 0.3 OUTLIER -159.41 173.77 15.73 Favored 'General case' 0 CA--C 1.6 2.901 0 CA-C-N 113.334 -1.757 . . . . 3.61 108.304 153.839 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 13' ' ' THR . . . . . . . . . . . . 0.303 0.2 OUTLIER -60.28 171.43 1.04 Allowed 'General case' 0 N--CA 1.517 2.912 0 N-CA-C 113.089 0.774 . . . . 1.97 113.089 -165.362 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 14' ' ' CYS . . . . . . . . . . . . . 62.1 m -142.46 148.66 48.08 Favored Pre-proline 1 N--CA 1.543 4.221 0 N-CA-C 104.333 -2.469 . . . . 1.36 104.333 -165.157 -73.687 -173.117 71.295 104.097 2.11 103.078 141.671 -47.695 2 2 . 1 . 001 nuclear orig full ' S' S ' 15' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -88.33 121.7 1.41 Allowed 'Trans proline' 0 C--N 1.376 1.999 0 C-N-CA 122.798 2.332 . . . . 3.05 111.298 -169.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 16' ' ' ALA . . . . . . . . . . . . 0.272 . . 80.6 -144.04 0.01 OUTLIER 'General case' 0 N--CA 1.409 -2.477 1 O-C-N 131.019 5.199 . . . . 3.07 104.895 154.231 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' S' S ' 17' ' ' GLY . . . . . . . . . . . . . . . -91.17 67.17 2.35 Favored Glycine 0 C--N 1.379 2.954 0 CA-C-O 127.664 3.924 . . . . 1.41 110.375 176.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 18' ' ' LYS . . . . . 0.407 ' HZ1' ' HB2' ' S' ' 40' ' ' ASP . 0.1 OUTLIER -121.63 112.71 18.79 Favored 'General case' 0 N--CA 1.521 3.093 0 N-CA-C 101.397 -3.557 . . . . 3.39 101.397 171.722 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -107.53 -65.43 1.11 Allowed 'General case' 0 C--N 1.392 2.444 0 C-N-CA 115.86 -2.336 . . . . 2.94 107.189 -137.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 mp -92.11 150.09 21.14 Favored 'General case' 0 N--CA 1.505 2.325 0 CA-C-N 110.952 -2.84 . . . . 2.04 110.362 -175.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 21' ' ' CYS . . . . . 0.644 ' SG ' ' N ' ' S' ' 1' ' ' LEU . 80.7 m -97.92 102.0 13.64 Favored 'General case' 0 CA--C 1.598 2.812 0 O-C-N 125.148 1.53 . . . . 0.54 113.601 178.189 -64.029 -166.259 87.029 108.588 2.118 94.969 168.078 -75.307 2 2 . 1 . 001 nuclear orig full ' S' S ' 22' ' ' TYR . . . . . 0.428 ' CG ' ' N ' ' S' ' 23' ' ' LYS 0.32 0.0 OUTLIER -68.91 171.4 8.06 Favored 'General case' 0 CA--C 1.502 -0.881 2 CA-C-N 107.519 -4.4 . . . . 2.15 109.7 -172.994 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' S' S ' 23' ' ' LYS . . . . . 0.503 ' NZ ' ' O ' ' S' ' 52' ' ' VAL . 1.8 ptpp? -177.42 139.39 0.25 Allowed 'General case' 0 C--O 1.174 -2.908 0 O-C-N 126.625 2.453 . . . . 2.41 111.089 166.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 24' ' ' MET . . . . . . . . . . . . . 57.1 mtp -67.09 99.35 0.66 Allowed 'General case' 0 CA--C 1.479 -1.774 0 C-N-CA 128.166 2.586 . . . . 1.91 110.204 178.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 25' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -88.42 76.69 8.24 Favored 'General case' 0 N--CA 1.531 3.6 0 CA-C-N 118.982 0.81 . . . . 2.51 110.634 -165.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 26' ' ' MET . . . . . 0.466 ' SD ' ' CG2' ' S' ' 34' ' ' VAL . 55.8 mtt -78.63 128.96 34.2 Favored 'General case' 0 C--N 1.378 1.823 0 C-N-CA 116.302 -2.159 . . . . 2.16 109.464 173.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 27' ' ' VAL . . . . . . . . . . . . . 3.0 t -88.98 -34.0 6.61 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 O-C-N 120.571 -1.33 . . . . 1.95 110.349 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 28' ' ' SER . . . . . . . . . . . . . 2.4 m -57.31 -62.57 1.67 Allowed 'General case' 0 C--N 1.369 1.415 0 CA-C-O 114.121 -2.847 . . . . 2.09 114.32 -151.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 24.7 p-10 -75.91 -31.92 59.38 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 121.12 1.782 . . . . 0.99 112.635 -164.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 30' ' ' LYS . . . . . . . . . . . . . 65.2 mttt -169.86 169.45 8.29 Favored 'General case' 0 CA--C 1.571 1.759 2 C-N-CA 135.536 5.534 . . . . 3.56 98.524 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 31' ' ' MET . . . . . . . . . . . . . 23.1 mmt -66.13 99.11 0.49 Allowed 'General case' 0 C--N 1.36 1.025 0 C-N-CA 116.376 -2.13 . . . . 3.29 108.542 164.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 32' ' ' VAL . . . . . 0.445 ' O ' HG13 ' S' ' 32' ' ' VAL . 2.3 t -111.65 88.97 10.18 Favored Pre-proline 0 C--N 1.311 -1.087 0 N-CA-C 108.241 -1.022 . . . . 2.11 108.241 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 33' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -52.71 106.97 0.16 Allowed 'Trans proline' 0 C--N 1.412 3.896 0 CA-C-O 117.065 -1.306 . . . . 1.01 109.936 157.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 34' ' ' VAL . . . . . 0.466 ' CG2' ' SD ' ' S' ' 26' ' ' MET 0.364 1.6 t -63.5 -107.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 O-C-N 127.61 3.069 . . . . 1.71 105.352 177.031 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 35' ' ' LYS . . . . . 0.413 ' O ' ' HA ' ' S' ' 23' ' ' LYS . 94.4 mttt -76.06 129.39 36.76 Favored 'General case' 0 N--CA 1.413 -2.292 0 N-CA-C 106.508 -1.664 . . . . 3.11 106.508 174.102 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 36' ' ' ARG . . . . . . . . . . . . . 13.7 mtm180 -98.49 159.85 14.67 Favored 'General case' 0 C--O 1.288 3.101 0 C-N-CA 126.774 2.03 . . . . 2.37 107.956 158.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 37' ' ' GLY . . . . . . . . . . . . . . . 132.9 157.28 8.42 Favored Glycine 0 CA--C 1.486 -1.741 0 O-C-N 128.101 3.376 . . . . 0.48 114.303 162.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 38' ' ' CYS . . . . . . . . . . . . . 19.4 m -54.85 142.21 30.2 Favored 'General case' 0 N--CA 1.437 -1.09 0 CA-C-N 110.362 -2.919 . . . . 0.6 114.144 173.491 -47.695 141.671 71.295 103.078 2.11 104.097 -173.117 -73.687 1 1 . 1 . 001 nuclear orig full ' S' S ' 39' ' ' ILE . . . . . 0.419 ' O ' ' HB2' ' S' ' 40' ' ' ASP 0.276 4.5 pt -178.92 -102.79 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.527 3.413 0 O-C-N 127.197 2.811 . . . . 1.76 110.64 -178.046 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 40' ' ' ASP . . . . . 0.419 ' HB2' ' O ' ' S' ' 39' ' ' ILE 0.314 0.2 OUTLIER -179.25 -32.35 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.451 0 CA-C-N 121.469 1.941 . . . . 2.12 114.043 164.689 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' S' S ' 41' ' ' VAL . . . . . . . . . . . . 0.367 86.8 t -56.0 118.51 1.61 Allowed 'Isoleucine or valine' 0 C--O 1.262 1.748 0 CA-C-N 110.199 -3.182 . . . . 2.04 104.261 167.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 42' ' ' CYS . . . . . . . . . . . . . 1.6 t -129.62 -59.97 0.02 OUTLIER Pre-proline 0 C--O 1.2 -1.517 0 CA-C-N 111.516 -2.584 . . . . 1.41 112.389 -169.393 159.368 47.095 122.493 111.344 2.042 102.656 -162.339 -45.987 1 1 . 1 . 001 nuclear orig full ' S' S ' 43' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -87.69 -128.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.363 1.335 0 N-CA-C 106.668 -2.089 . . . . 4.04 106.668 -157.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 44' ' ' LYS . . . . . . . . . . . . . 15.1 mmtp 50.55 -158.12 0.09 Allowed 'General case' 0 CA--C 1.604 3.04 0 C-N-CA 128.841 2.857 . . . . 7.2 115.265 -171.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 45' ' ' SER . . . . . . . . . . . . . 75.0 m -163.19 130.33 3.5 Favored 'General case' 0 C--N 1.306 -1.294 0 C-N-CA 131.137 3.775 . . . . 2.49 101.739 166.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 46' ' ' SER . . . . . . . . . . . . . 24.8 p -85.91 -83.79 0.17 Allowed 'General case' 0 CA--C 1.513 -0.463 0 C-N-CA 114.667 -2.813 . . . . 2.21 108.95 159.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 47' ' ' LEU . . . . . . . . . . . . . 10.0 tp -175.18 -88.07 0.0 OUTLIER 'General case' 0 CA--C 1.575 1.922 1 CA-C-N 108.065 -4.152 . . . . 3.24 102.406 -165.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 48' ' ' LEU . . . . . . . . . . . . 0.296 16.7 mt -58.08 -13.91 5.7 Favored 'General case' 0 C--N 1.381 1.965 0 C-N-CA 115.721 -2.392 . . . . 2.93 116.595 173.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 49' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -151.98 87.22 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.396 -3.133 0 CA-C-O 125.048 2.356 . . . . 1.48 114.149 -173.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 50' ' ' LYS . . . . . . . . . . . . 0.323 12.6 ptmt -75.57 175.06 8.91 Favored 'General case' 0 C--O 1.259 1.575 0 N-CA-C 103.377 -2.823 . . . . 2.66 103.377 149.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 51' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -137.8 144.84 41.73 Favored 'General case' 0 N--CA 1.435 -1.201 0 C-N-CA 115.994 -2.283 . . . . 2.24 107.452 173.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 52' ' ' VAL . . . . . 0.503 ' O ' ' NZ ' ' S' ' 23' ' ' LYS . 2.1 t -110.69 95.59 3.96 Favored 'Isoleucine or valine' 0 C--N 1.363 1.167 0 N-CA-C 103.325 -2.843 . . . . 1.2 103.325 -177.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 53' ' ' CYS . . . . . . . . . . . . . 13.1 m -73.23 158.32 35.43 Favored 'General case' 0 C--O 1.184 -2.352 0 N-CA-C 104.149 -2.537 . . . . 1.35 104.149 -178.108 -45.987 -162.339 122.493 102.656 2.042 111.344 47.095 159.368 1 1 . 1 . 001 nuclear orig full ' S' S ' 54' ' ' CYS . . . . . 0.555 ' SG ' ' ND2' ' S' ' 60' ' ' ASN . 24.2 p -161.5 130.06 4.4 Favored 'General case' 0 CA--C 1.504 -0.807 0 CA-C-O 124.005 1.859 . . . . 0.65 108.764 174.113 67.676 -144.487 -73.714 101.521 2.006 105.648 -99.853 80.616 2 2 . 1 . 001 nuclear orig full ' S' S ' 55' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' S' ' 56' ' ' THR . 7.4 p-10 -95.24 -37.84 10.83 Favored 'General case' 0 CA--C 1.576 1.951 1 CA-C-N 107.575 -4.375 . . . . 1.88 112.219 -169.164 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 56' ' ' THR . . . . . 0.452 ' N ' ' OD1' ' S' ' 55' ' ' ASN 0.253 25.5 m -68.73 129.0 38.67 Favored 'General case' 0 N--CA 1.427 -1.624 0 N-CA-C 105.686 -1.968 . . . . 2.14 105.686 160.148 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 57' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -59.49 -23.68 62.96 Favored 'General case' 0 C--N 1.384 2.07 1 O-C-N 130.441 4.838 . . . . 1.87 108.915 -157.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 58' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -107.31 96.04 6.13 Favored 'General case' 0 C--O 1.243 0.723 0 O-C-N 124.972 1.42 . . . . 2.9 114.41 -175.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 59' ' ' CYS . . . . . 0.477 ' SG ' ' ND2' ' S' ' 60' ' ' ASN . 7.5 p -136.76 7.01 2.97 Favored 'General case' 0 N--CA 1.503 2.2 0 CA-C-O 127.738 3.637 . . . . 1.31 114.447 153.736 80.616 -99.853 -73.714 105.648 2.006 101.521 -144.487 67.676 2 2 . 1 . 001 nuclear orig full ' S' S ' 60' ' ' ASN . . . . . 0.555 ' ND2' ' SG ' ' S' ' 54' ' ' CYS . 0.6 OUTLIER . . . . . 0 N--CA 1.431 -1.417 0 CA-C-N 111.086 -2.779 . . . . 1.81 113.669 -156.105 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 1' ' ' LEU . . . . . 0.649 ' N ' ' SG ' ' S' ' 21' ' ' CYS . 1.1 tm? . . . . . 1 N--CA 1.372 -4.373 0 CA-C-O 124.563 2.125 . . . . 2.67 114.264 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 2' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -73.96 100.58 3.58 Favored 'General case' 0 C--N 1.421 3.706 0 C-N-CA 112.826 -3.55 . . . . 1.98 105.466 173.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 3' ' ' CYS . . . . . 0.584 ' SG ' ' N ' ' S' ' 1' ' ' LEU . 56.0 m -153.83 155.99 36.81 Favored 'General case' 0 C--N 1.407 3.092 0 O-C-N 119.149 -2.219 . . . . 0.44 111.404 -147.457 -75.307 168.078 87.029 94.969 2.118 108.588 -166.259 -64.029 2 2 . 1 . 001 nuclear build full ' S' S ' 4' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -74.05 98.29 3.06 Favored 'General case' 0 CA--C 1.473 -2.013 0 O-C-N 124.683 1.24 . . . . 2.02 110.489 -170.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.11 103.78 15.75 Favored 'General case' 0 CA--C 1.505 -0.778 0 O-C-N 127.511 3.007 . . . . 2.82 105.354 -177.261 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 6' ' ' LEU . . . . . . . . . . . . . 4.8 tp 64.24 -138.31 0.29 Allowed 'General case' 0 C--N 1.388 2.271 0 O-C-N 128.373 3.545 . . . . 1.94 107.407 -147.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 7' ' ' VAL . . . . . 0.515 ' H ' ' HD2' ' S' ' 8' ' ' PRO . 55.4 t -132.41 -60.55 0.02 OUTLIER Pre-proline 0 C--N 1.364 1.236 0 C-N-CA 116.948 -1.901 . . . . 1.07 112.747 -173.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 8' ' ' PRO . . . . . 0.515 ' HD2' ' H ' ' S' ' 7' ' ' VAL . 40.2 Cg_endo -69.71 -10.11 27.79 Favored 'Trans proline' 0 N--CA 1.491 1.362 0 C-N-CA 113.727 -3.715 . . . . 1.45 117.497 -164.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 9' ' ' LEU . . . . . . . . . . . . . 22.3 mt -84.72 63.05 7.75 Favored 'General case' 0 CA--C 1.46 -2.497 0 CA-C-O 123.156 1.455 . . . . 2.23 109.917 165.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 10' ' ' PHE . . . . . 0.586 ' O ' ' NZ ' ' S' ' 12' ' ' LYS . 0.0 OUTLIER -73.05 128.38 35.31 Favored 'General case' 0 C--O 1.275 2.422 0 N-CA-C 115.719 1.748 . . . . 1.94 115.719 -164.31 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 11' ' ' TYR . . . . . 0.488 ' O ' ' HG3' ' S' ' 12' ' ' LYS 0.278 20.6 p90 45.11 110.57 0.0 OUTLIER 'General case' 0 CA--C 1.579 2.061 0 O-C-N 127.991 3.307 . . . . 1.42 114.516 -172.868 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 12' ' ' LYS . . . . . 0.586 ' NZ ' ' O ' ' S' ' 10' ' ' PHE . 0.3 OUTLIER -159.41 173.77 15.73 Favored 'General case' 0 CA--C 1.6 2.901 0 CA-C-N 113.334 -1.757 . . . . 3.11 108.304 153.839 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 13' ' ' THR . . . . . . . . . . . . 0.303 0.2 OUTLIER -60.28 171.43 1.04 Allowed 'General case' 0 N--CA 1.517 2.912 0 N-CA-C 113.089 0.774 . . . . 1.66 113.089 -165.362 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 14' ' ' CYS . . . . . . . . . . . . . 62.1 m -142.46 148.66 48.08 Favored Pre-proline 1 N--CA 1.543 4.221 0 N-CA-C 104.333 -2.469 . . . . 1.15 104.333 -165.157 -73.687 -173.117 71.295 104.097 2.11 103.078 141.671 -47.695 2 2 . 1 . 001 nuclear build full ' S' S ' 15' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -88.33 121.7 1.41 Allowed 'Trans proline' 0 C--N 1.376 1.999 0 C-N-CA 122.798 2.332 . . . . 2.43 111.298 -169.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 16' ' ' ALA . . . . . . . . . . . . 0.272 . . 80.6 -144.04 0.01 OUTLIER 'General case' 0 N--CA 1.409 -2.477 1 O-C-N 131.019 5.199 . . . . 2.56 104.895 154.231 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' S' S ' 17' ' ' GLY . . . . . . . . . . . . . . . -91.17 67.17 2.35 Favored Glycine 0 C--N 1.379 2.954 0 CA-C-O 127.664 3.924 . . . . 1.23 110.375 176.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 18' ' ' LYS . . . . . 0.435 ' HD3' ' O ' ' S' ' 39' ' ' ILE . 0.1 OUTLIER -121.63 112.71 18.79 Favored 'General case' 0 N--CA 1.521 3.093 0 N-CA-C 101.397 -3.557 . . . . 2.89 101.397 171.722 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -107.53 -65.43 1.11 Allowed 'General case' 0 C--N 1.392 2.444 0 C-N-CA 115.86 -2.336 . . . . 2.35 107.189 -137.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 mp -92.11 150.09 21.14 Favored 'General case' 0 N--CA 1.505 2.325 0 CA-C-N 110.952 -2.84 . . . . 1.4 110.362 -175.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 21' ' ' CYS . . . . . 0.649 ' SG ' ' N ' ' S' ' 1' ' ' LEU . 80.7 m -97.92 102.0 13.64 Favored 'General case' 0 CA--C 1.598 2.812 0 O-C-N 125.148 1.53 . . . . 0.37 113.601 178.189 -64.029 -166.259 87.029 108.588 2.118 94.969 168.078 -75.307 2 2 . 1 . 001 nuclear build full ' S' S ' 22' ' ' TYR . . . . . 0.428 ' CG ' ' N ' ' S' ' 23' ' ' LYS 0.32 0.0 OUTLIER -68.91 171.4 8.06 Favored 'General case' 0 CA--C 1.502 -0.881 2 CA-C-N 107.519 -4.4 . . . . 1.29 109.7 -172.994 . . . . . . . . 5 4 . 1 . 001 nuclear build full ' S' S ' 23' ' ' LYS . . . . . 0.485 ' NZ ' ' O ' ' S' ' 52' ' ' VAL . 1.8 ptpp? -177.42 139.39 0.25 Allowed 'General case' 0 C--O 1.174 -2.908 0 O-C-N 126.625 2.453 . . . . 1.96 111.089 166.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 24' ' ' MET . . . . . 0.497 ' HB2' ' HB ' ' S' ' 34' ' ' VAL . 57.1 mtp -67.09 99.35 0.66 Allowed 'General case' 0 CA--C 1.479 -1.774 0 C-N-CA 128.166 2.586 . . . . 1.28 110.204 178.646 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 25' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -88.42 76.69 8.24 Favored 'General case' 0 N--CA 1.531 3.6 0 CA-C-N 118.982 0.81 . . . . 1.59 110.634 -165.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 26' ' ' MET . . . . . 0.466 ' SD ' ' CG2' ' S' ' 34' ' ' VAL . 55.8 mtt -78.63 128.96 34.2 Favored 'General case' 0 C--N 1.378 1.823 0 C-N-CA 116.302 -2.159 . . . . 1.63 109.464 173.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 27' ' ' VAL . . . . . . . . . . . . . 3.0 t -88.98 -34.0 6.61 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 O-C-N 120.571 -1.33 . . . . 1.31 110.349 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 28' ' ' SER . . . . . . . . . . . . . 2.4 m -57.31 -62.57 1.67 Allowed 'General case' 0 C--N 1.369 1.415 0 CA-C-O 114.121 -2.847 . . . . 1.54 114.32 -151.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 24.7 p-10 -75.91 -31.92 59.38 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 121.12 1.782 . . . . 0.99 112.635 -164.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 30' ' ' LYS . . . . . . . . . . . . . 65.2 mttt -169.86 169.45 8.29 Favored 'General case' 0 CA--C 1.571 1.759 2 C-N-CA 135.536 5.534 . . . . 3.16 98.524 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 31' ' ' MET . . . . . . . . . . . . . 23.1 mmt -66.13 99.11 0.49 Allowed 'General case' 0 C--N 1.36 1.025 0 C-N-CA 116.376 -2.13 . . . . 2.77 108.542 164.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 32' ' ' VAL . . . . . 0.523 ' O ' HG12 ' S' ' 32' ' ' VAL . 2.3 t -111.65 88.97 10.18 Favored Pre-proline 0 C--N 1.311 -1.087 0 N-CA-C 108.241 -1.022 . . . . 1.43 108.241 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 33' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -52.71 106.97 0.16 Allowed 'Trans proline' 0 C--N 1.412 3.896 0 CA-C-O 117.065 -1.306 . . . . 0.86 109.936 157.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 34' ' ' VAL . . . . . 0.497 ' HB ' ' HB2' ' S' ' 24' ' ' MET 0.364 1.6 t -63.5 -107.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 O-C-N 127.61 3.069 . . . . 1.01 105.352 177.031 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 35' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' S' ' 23' ' ' LYS . 94.4 mttt -76.06 129.39 36.76 Favored 'General case' 0 N--CA 1.413 -2.292 0 N-CA-C 106.508 -1.664 . . . . 2.62 106.508 174.102 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 36' ' ' ARG . . . . . . . . . . . . . 13.7 mtm180 -98.49 159.85 14.67 Favored 'General case' 0 C--O 1.288 3.101 0 C-N-CA 126.774 2.03 . . . . 1.74 107.956 158.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 37' ' ' GLY . . . . . . . . . . . . . . . 132.9 157.28 8.42 Favored Glycine 0 CA--C 1.486 -1.741 0 O-C-N 128.101 3.376 . . . . 0.48 114.303 162.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 38' ' ' CYS . . . . . 0.48 ' O ' HG23 ' S' ' 39' ' ' ILE . 19.4 m -54.85 142.21 30.2 Favored 'General case' 0 N--CA 1.437 -1.09 0 CA-C-N 110.362 -2.919 . . . . 0.6 114.144 173.491 -47.695 141.671 71.295 103.078 2.11 104.097 -173.117 -73.687 2 2 . 1 . 001 nuclear build full ' S' S ' 39' ' ' ILE . . . . . 0.48 HG23 ' O ' ' S' ' 38' ' ' CYS 0.276 4.5 pt -178.92 -102.79 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.527 3.413 0 O-C-N 127.197 2.811 . . . . 1.08 110.64 -178.046 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 40' ' ' ASP . . . . . 0.43 ' HB2' ' O ' ' S' ' 39' ' ' ILE 0.314 0.2 OUTLIER -179.25 -32.35 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.451 0 CA-C-N 121.469 1.941 . . . . 2.12 114.043 164.689 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' S' S ' 41' ' ' VAL . . . . . . . . . . . . 0.367 86.8 t -56.0 118.51 1.61 Allowed 'Isoleucine or valine' 0 C--O 1.262 1.748 0 CA-C-N 110.199 -3.182 . . . . 1.34 104.261 167.063 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 42' ' ' CYS . . . . . . . . . . . . . 1.6 t -129.62 -59.97 0.02 OUTLIER Pre-proline 0 C--O 1.2 -1.517 0 CA-C-N 111.516 -2.584 . . . . 1.41 112.389 -169.393 159.368 47.095 122.493 111.344 2.042 102.656 -162.339 -45.987 1 1 . 1 . 001 nuclear build full ' S' S ' 43' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -87.69 -128.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.363 1.335 0 N-CA-C 106.668 -2.089 . . . . 3.19 106.668 -157.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 44' ' ' LYS . . . . . . . . . . . . . 15.1 mmtp 50.55 -158.12 0.09 Allowed 'General case' 0 CA--C 1.604 3.04 0 C-N-CA 128.841 2.857 . . . . 6.78 115.265 -171.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 45' ' ' SER . . . . . . . . . . . . . 75.0 m -163.19 130.33 3.5 Favored 'General case' 0 C--N 1.306 -1.294 0 C-N-CA 131.137 3.775 . . . . 2.12 101.739 166.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 46' ' ' SER . . . . . . . . . . . . . 24.8 p -85.91 -83.79 0.17 Allowed 'General case' 0 CA--C 1.513 -0.463 0 C-N-CA 114.667 -2.813 . . . . 1.95 108.95 159.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 47' ' ' LEU . . . . . 0.477 HD12 ' HA ' ' S' ' 47' ' ' LEU . 10.0 tp -175.18 -88.07 0.0 OUTLIER 'General case' 0 CA--C 1.575 1.922 1 CA-C-N 108.065 -4.152 . . . . 2.76 102.406 -165.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 48' ' ' LEU . . . . . . . . . . . . 0.296 16.7 mt -58.08 -13.91 5.7 Favored 'General case' 0 C--N 1.381 1.965 0 C-N-CA 115.721 -2.392 . . . . 2.36 116.595 173.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 49' ' ' VAL . . . . . 0.605 HG12 ' CE2' ' S' ' 51' ' ' TYR . 0.6 OUTLIER -151.98 87.22 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.396 -3.133 0 CA-C-O 125.048 2.356 . . . . 0.84 114.149 -173.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 50' ' ' LYS . . . . . . . . . . . . 0.323 12.6 ptmt -75.57 175.06 8.91 Favored 'General case' 0 C--O 1.259 1.575 0 N-CA-C 103.377 -2.823 . . . . 2.17 103.377 149.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 51' ' ' TYR . . . . . 0.605 ' CE2' HG12 ' S' ' 49' ' ' VAL . 4.0 m-85 -137.8 144.84 41.73 Favored 'General case' 0 N--CA 1.435 -1.201 0 C-N-CA 115.994 -2.283 . . . . 1.36 107.452 173.517 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 52' ' ' VAL . . . . . 0.485 ' O ' ' NZ ' ' S' ' 23' ' ' LYS . 2.1 t -110.69 95.59 3.96 Favored 'Isoleucine or valine' 0 C--N 1.363 1.167 0 N-CA-C 103.325 -2.843 . . . . 0.69 103.325 -177.182 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 53' ' ' CYS . . . . . . . . . . . . . 13.1 m -73.23 158.32 35.43 Favored 'General case' 0 C--O 1.184 -2.352 0 N-CA-C 104.149 -2.537 . . . . 1.35 104.149 -178.108 -45.987 -162.339 122.493 102.656 2.042 111.344 47.095 159.368 1 1 . 1 . 001 nuclear build full ' S' S ' 54' ' ' CYS . . . . . 0.555 ' SG ' ' ND2' ' S' ' 60' ' ' ASN . 24.2 p -161.5 130.06 4.4 Favored 'General case' 0 CA--C 1.504 -0.807 0 CA-C-O 124.005 1.859 . . . . 0.65 108.764 174.113 67.676 -144.487 -73.714 101.521 2.006 105.648 -99.853 80.616 2 2 . 1 . 001 nuclear build full ' S' S ' 55' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' S' ' 56' ' ' THR . 7.4 p-10 -95.24 -37.84 10.83 Favored 'General case' 0 CA--C 1.576 1.951 1 CA-C-N 107.575 -4.375 . . . . 1.29 112.219 -169.164 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 56' ' ' THR . . . . . 0.452 ' N ' ' OD1' ' S' ' 55' ' ' ASN 0.253 25.5 m -68.73 129.0 38.67 Favored 'General case' 0 N--CA 1.427 -1.624 0 N-CA-C 105.686 -1.968 . . . . 1.48 105.686 160.148 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 57' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -59.49 -23.68 62.96 Favored 'General case' 0 C--N 1.384 2.07 1 O-C-N 130.441 4.838 . . . . 1.87 108.915 -157.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 58' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -107.31 96.04 6.13 Favored 'General case' 0 C--O 1.243 0.723 0 O-C-N 124.972 1.42 . . . . 2.38 114.41 -175.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 59' ' ' CYS . . . . . 0.476 ' SG ' ' ND2' ' S' ' 60' ' ' ASN . 7.5 p -136.76 7.01 2.97 Favored 'General case' 0 N--CA 1.503 2.2 0 CA-C-O 127.738 3.637 . . . . 1.31 114.447 153.736 80.616 -99.853 -73.714 105.648 2.006 101.521 -144.487 67.676 2 2 . 1 . 001 nuclear build full ' S' S ' 60' ' ' ASN . . . . . 0.555 ' ND2' ' SG ' ' S' ' 54' ' ' CYS . 0.6 OUTLIER . . . . . 0 N--CA 1.431 -1.417 0 CA-C-N 111.086 -2.779 . . . . 1.81 113.669 -156.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 1' ' ' LEU . . . . . 0.649 ' N ' ' SG ' ' S' ' 21' ' ' CYS . 1.1 tm? . . . . . 1 N--CA 1.372 -4.373 0 CA-C-O 124.563 2.125 . . . . 2.6699999999999999 114.264 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 2' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -73.96 100.58 3.58 Favored 'General case' 0 C--N 1.421 3.706 0 C-N-CA 112.826 -3.55 . . . . 1.98 105.466 173.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 3' ' ' CYS . . . . . 0.584 ' SG ' ' N ' ' S' ' 1' ' ' LEU . 56.0 m -153.83 155.99 36.81 Favored 'General case' 0 C--N 1.407 3.092 0 O-C-N 119.149 -2.219 . . . . 0.44 111.404 -147.457 -75.307 168.078 87.029 94.969 2.118 108.588 -166.259 -64.029 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 4' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -74.05 98.29 3.06 Favored 'General case' 0 CA--C 1.473 -2.013 0 O-C-N 124.683 1.24 . . . . 2.02 110.489 -170.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.11 103.78 15.75 Favored 'General case' 0 CA--C 1.505 -0.778 0 O-C-N 127.511 3.007 . . . . 2.8199999999999998 105.354 -177.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 6' ' ' LEU . . . . . . . . . . . . . 4.8 tp 64.24 -138.31 0.29 Allowed 'General case' 0 C--N 1.388 2.271 0 O-C-N 128.373 3.545 . . . . 1.9399999999999999 107.407 -147.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 7' ' ' VAL . . . . . 0.515 ' H ' ' HD2' ' S' ' 8' ' ' PRO . 55.4 t -132.41 -60.55 0.02 OUTLIER Pre-proline 0 C--N 1.364 1.236 0 C-N-CA 116.948 -1.901 . . . . 1.0700000000000001 112.747 -173.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 8' ' ' PRO . . . . . 0.515 ' HD2' ' H ' ' S' ' 7' ' ' VAL . 40.2 Cg_endo -69.71 -10.11 27.79 Favored 'Trans proline' 0 N--CA 1.491 1.362 0 C-N-CA 113.727 -3.715 . . . . 1.45 117.497 -164.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 9' ' ' LEU . . . . . . . . . . . . . 22.3 mt -84.72 63.05 7.75 Favored 'General case' 0 CA--C 1.46 -2.497 0 CA-C-O 123.156 1.455 . . . . 2.23 109.917 165.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 10' ' ' PHE . . . . . 0.586 ' O ' ' NZ ' ' S' ' 12' ' ' LYS . 0.0 OUTLIER -73.05 128.38 35.31 Favored 'General case' 0 C--O 1.275 2.422 0 N-CA-C 115.719 1.748 . . . . 1.9399999999999999 115.719 -164.31 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 11' ' ' TYR . . . . . 0.488 ' O ' ' HG3' ' S' ' 12' ' ' LYS 0.278 20.6 p90 45.11 110.57 0.0 OUTLIER 'General case' 0 CA--C 1.579 2.061 0 O-C-N 127.991 3.307 . . . . 1.4199999999999999 114.516 -172.868 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 12' ' ' LYS . . . . . 0.586 ' NZ ' ' O ' ' S' ' 10' ' ' PHE . 0.3 OUTLIER -159.41 173.77 15.73 Favored 'General case' 0 CA--C 1.6 2.901 0 CA-C-N 113.334 -1.757 . . . . 3.1099999999999999 108.304 153.839 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 13' ' ' THR . . . . . . . . . . . . 0.303 0.2 OUTLIER -60.28 171.43 1.04 Allowed 'General case' 0 N--CA 1.517 2.912 0 N-CA-C 113.089 0.774 . . . . 1.6599999999999999 113.089 -165.362 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 14' ' ' CYS . . . . . . . . . . . . . 62.1 m -142.46 148.66 48.08 Favored Pre-proline 1 N--CA 1.543 4.221 0 N-CA-C 104.333 -2.469 . . . . 1.1499999999999999 104.333 -165.157 -73.687 -173.117 71.295 104.097 2.11 103.078 141.671 -47.695 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 15' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -88.33 121.7 1.41 Allowed 'Trans proline' 0 C--N 1.376 1.999 0 C-N-CA 122.798 2.332 . . . . 2.4300000000000002 111.298 -169.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 16' ' ' ALA . . . . . . . . . . . . 0.272 . . 80.6 -144.04 0.01 OUTLIER 'General case' 0 N--CA 1.409 -2.477 1 O-C-N 131.019 5.199 . . . . 2.5600000000000001 104.895 154.231 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' S' S ' 17' ' ' GLY . . . . . . . . . . . . . . . -91.17 67.17 2.35 Favored Glycine 0 C--N 1.379 2.954 0 CA-C-O 127.664 3.924 . . . . 1.23 110.375 176.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 18' ' ' LYS . . . . . 0.435 ' HD3' ' O ' ' S' ' 39' ' ' ILE . 0.1 OUTLIER -121.63 112.71 18.79 Favored 'General case' 0 N--CA 1.521 3.093 0 N-CA-C 101.397 -3.557 . . . . 2.8900000000000001 101.397 171.722 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -107.53 -65.43 1.11 Allowed 'General case' 0 C--N 1.392 2.444 0 C-N-CA 115.86 -2.336 . . . . 2.3500000000000001 107.189 -137.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 mp -92.11 150.09 21.14 Favored 'General case' 0 N--CA 1.505 2.325 0 CA-C-N 110.952 -2.84 . . . . 1.3999999999999999 110.362 -175.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 21' ' ' CYS . . . . . 0.649 ' SG ' ' N ' ' S' ' 1' ' ' LEU . 80.7 m -97.92 102.0 13.64 Favored 'General case' 0 CA--C 1.598 2.812 0 O-C-N 125.148 1.53 . . . . 0.37 113.601 178.189 -64.029 -166.259 87.029 108.588 2.118 94.969 168.078 -75.307 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 22' ' ' TYR . . . . . 0.428 ' CG ' ' N ' ' S' ' 23' ' ' LYS 0.32 0.0 OUTLIER -68.91 171.4 8.06 Favored 'General case' 0 CA--C 1.502 -0.881 2 CA-C-N 107.519 -4.4 . . . . 1.29 109.7 -172.994 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' S' S ' 23' ' ' LYS . . . . . 0.485 ' NZ ' ' O ' ' S' ' 52' ' ' VAL . 1.8 ptpp? -177.42 139.39 0.25 Allowed 'General case' 0 C--O 1.174 -2.908 0 O-C-N 126.625 2.453 . . . . 1.96 111.089 166.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 24' ' ' MET . . . . . 0.497 ' HB2' ' HB ' ' S' ' 34' ' ' VAL . 57.1 mtp -67.09 99.35 0.66 Allowed 'General case' 0 CA--C 1.479 -1.774 0 C-N-CA 128.166 2.586 . . . . 1.28 110.204 178.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 25' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -88.42 76.69 8.24 Favored 'General case' 0 N--CA 1.531 3.6 0 CA-C-N 118.982 0.81 . . . . 1.5900000000000001 110.634 -165.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 26' ' ' MET . . . . . 0.466 ' SD ' ' CG2' ' S' ' 34' ' ' VAL . 55.8 mtt -78.63 128.96 34.2 Favored 'General case' 0 C--N 1.378 1.823 0 C-N-CA 116.302 -2.159 . . . . 1.6299999999999999 109.464 173.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 27' ' ' VAL . . . . . . . . . . . . . 3.0 t -88.98 -34.0 6.61 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 O-C-N 120.571 -1.33 . . . . 1.3100000000000001 110.349 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 28' ' ' SER . . . . . . . . . . . . . 2.4 m -57.31 -62.57 1.67 Allowed 'General case' 0 C--N 1.369 1.415 0 CA-C-O 114.121 -2.847 . . . . 1.54 114.32 -151.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 24.7 p-10 -75.91 -31.92 59.38 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 121.12 1.782 . . . . 0.98999999999999999 112.635 -164.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 30' ' ' LYS . . . . . . . . . . . . . 65.2 mttt -169.86 169.45 8.29 Favored 'General case' 0 CA--C 1.571 1.759 2 C-N-CA 135.536 5.534 . . . . 3.1600000000000001 98.524 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 31' ' ' MET . . . . . . . . . . . . . 23.1 mmt -66.13 99.11 0.49 Allowed 'General case' 0 C--N 1.36 1.025 0 C-N-CA 116.376 -2.13 . . . . 2.77 108.542 164.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 32' ' ' VAL . . . . . 0.523 ' O ' HG12 ' S' ' 32' ' ' VAL . 2.3 t -111.65 88.97 10.18 Favored Pre-proline 0 C--N 1.311 -1.087 0 N-CA-C 108.241 -1.022 . . . . 1.4299999999999999 108.241 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 33' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -52.71 106.97 0.16 Allowed 'Trans proline' 0 C--N 1.412 3.896 0 CA-C-O 117.065 -1.306 . . . . 0.85999999999999999 109.936 157.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 34' ' ' VAL . . . . . 0.497 ' HB ' ' HB2' ' S' ' 24' ' ' MET 0.364 1.6 t -63.5 -107.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 O-C-N 127.61 3.069 . . . . 1.01 105.352 177.031 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 35' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' S' ' 23' ' ' LYS . 94.4 mttt -76.06 129.39 36.76 Favored 'General case' 0 N--CA 1.413 -2.292 0 N-CA-C 106.508 -1.664 . . . . 2.6200000000000001 106.508 174.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 36' ' ' ARG . . . . . . . . . . . . . 13.7 mtm180 -98.49 159.85 14.67 Favored 'General case' 0 C--O 1.288 3.101 0 C-N-CA 126.774 2.03 . . . . 1.74 107.956 158.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 37' ' ' GLY . . . . . . . . . . . . . . . 132.9 157.28 8.42 Favored Glycine 0 CA--C 1.486 -1.741 0 O-C-N 128.101 3.376 . . . . 0.47999999999999998 114.303 162.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 38' ' ' CYS . . . . . 0.48 ' O ' HG23 ' S' ' 39' ' ' ILE . 19.4 m -54.85 142.21 30.2 Favored 'General case' 0 N--CA 1.437 -1.09 0 CA-C-N 110.362 -2.919 . . . . 0.59999999999999998 114.144 173.491 -47.695 141.671 71.295 103.078 2.11 104.097 -173.117 -73.687 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 39' ' ' ILE . . . . . 0.48 HG23 ' O ' ' S' ' 38' ' ' CYS 0.276 4.5 pt -178.92 -102.79 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.527 3.413 0 O-C-N 127.197 2.811 . . . . 1.0800000000000001 110.64 -178.046 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 40' ' ' ASP . . . . . 0.43 ' HB2' ' O ' ' S' ' 39' ' ' ILE 0.314 0.2 OUTLIER -179.25 -32.35 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.451 0 CA-C-N 121.469 1.941 . . . . 2.1200000000000001 114.043 164.689 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' S' S ' 41' ' ' VAL . . . . . . . . . . . . 0.367 86.8 t -56.0 118.51 1.61 Allowed 'Isoleucine or valine' 0 C--O 1.262 1.748 0 CA-C-N 110.199 -3.182 . . . . 1.3400000000000001 104.261 167.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 42' ' ' CYS . . . . . . . . . . . . . 1.6 t -129.62 -59.97 0.02 OUTLIER Pre-proline 0 C--O 1.2 -1.517 0 CA-C-N 111.516 -2.584 . . . . 1.4099999999999999 112.389 -169.393 159.368 47.095 122.493 111.344 2.042 102.656 -162.339 -45.987 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 43' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -87.69 -128.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.363 1.335 0 N-CA-C 106.668 -2.089 . . . . 3.1899999999999999 106.668 -157.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 44' ' ' LYS . . . . . . . . . . . . . 15.1 mmtp 50.55 -158.12 0.09 Allowed 'General case' 0 CA--C 1.604 3.04 0 C-N-CA 128.841 2.857 . . . . 6.7800000000000002 115.265 -171.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 45' ' ' SER . . . . . . . . . . . . . 75.0 m -163.19 130.33 3.5 Favored 'General case' 0 C--N 1.306 -1.294 0 C-N-CA 131.137 3.775 . . . . 2.1200000000000001 101.739 166.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 46' ' ' SER . . . . . . . . . . . . . 24.8 p -85.91 -83.79 0.17 Allowed 'General case' 0 CA--C 1.513 -0.463 0 C-N-CA 114.667 -2.813 . . . . 1.95 108.95 159.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 47' ' ' LEU . . . . . 0.477 HD12 ' HA ' ' S' ' 47' ' ' LEU . 10.0 tp -175.18 -88.07 0.0 OUTLIER 'General case' 0 CA--C 1.575 1.922 1 CA-C-N 108.065 -4.152 . . . . 2.7599999999999998 102.406 -165.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 48' ' ' LEU . . . . . . . . . . . . 0.296 16.7 mt -58.08 -13.91 5.7 Favored 'General case' 0 C--N 1.381 1.965 0 C-N-CA 115.721 -2.392 . . . . 2.3599999999999999 116.595 173.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 49' ' ' VAL . . . . . 0.605 HG12 ' CE2' ' S' ' 51' ' ' TYR . 0.6 OUTLIER -151.98 87.22 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.396 -3.133 0 CA-C-O 125.048 2.356 . . . . 0.83999999999999997 114.149 -173.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 50' ' ' LYS . . . . . . . . . . . . 0.323 12.6 ptmt -75.57 175.06 8.91 Favored 'General case' 0 C--O 1.259 1.575 0 N-CA-C 103.377 -2.823 . . . . 2.1699999999999999 103.377 149.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 51' ' ' TYR . . . . . 0.605 ' CE2' HG12 ' S' ' 49' ' ' VAL . 4.0 m-85 -137.8 144.84 41.73 Favored 'General case' 0 N--CA 1.435 -1.201 0 C-N-CA 115.994 -2.283 . . . . 1.3600000000000001 107.452 173.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 52' ' ' VAL . . . . . 0.485 ' O ' ' NZ ' ' S' ' 23' ' ' LYS . 2.1 t -110.69 95.59 3.96 Favored 'Isoleucine or valine' 0 C--N 1.363 1.167 0 N-CA-C 103.325 -2.843 . . . . 0.68999999999999995 103.325 -177.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 53' ' ' CYS . . . . . . . . . . . . . 13.1 m -73.23 158.32 35.43 Favored 'General case' 0 C--O 1.184 -2.352 0 N-CA-C 104.149 -2.537 . . . . 1.3500000000000001 104.149 -178.108 -45.987 -162.339 122.493 102.656 2.042 111.344 47.095 159.368 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 54' ' ' CYS . . . . . 0.555 ' SG ' ' ND2' ' S' ' 60' ' ' ASN . 24.2 p -161.5 130.06 4.4 Favored 'General case' 0 CA--C 1.504 -0.807 0 CA-C-O 124.005 1.859 . . . . 0.65000000000000002 108.764 174.113 67.676 -144.487 -73.714 101.521 2.006 105.648 -99.853 80.616 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 55' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' S' ' 56' ' ' THR . 7.4 p-10 -95.24 -37.84 10.83 Favored 'General case' 0 CA--C 1.576 1.951 1 CA-C-N 107.575 -4.375 . . . . 1.29 112.219 -169.164 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 56' ' ' THR . . . . . 0.452 ' N ' ' OD1' ' S' ' 55' ' ' ASN 0.253 25.5 m -68.73 129.0 38.67 Favored 'General case' 0 N--CA 1.427 -1.624 0 N-CA-C 105.686 -1.968 . . . . 1.48 105.686 160.148 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 57' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -59.49 -23.68 62.96 Favored 'General case' 0 C--N 1.384 2.07 1 O-C-N 130.441 4.838 . . . . 1.8700000000000001 108.915 -157.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 58' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -107.31 96.04 6.13 Favored 'General case' 0 C--O 1.243 0.723 0 O-C-N 124.972 1.42 . . . . 2.3799999999999999 114.41 -175.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 59' ' ' CYS . . . . . 0.476 ' SG ' ' ND2' ' S' ' 60' ' ' ASN . 7.5 p -136.76 7.01 2.97 Favored 'General case' 0 N--CA 1.503 2.2 0 CA-C-O 127.738 3.637 . . . . 1.3100000000000001 114.447 153.736 80.616 -99.853 -73.714 105.648 2.006 101.521 -144.487 67.676 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 60' ' ' ASN . . . . . 0.555 ' ND2' ' SG ' ' S' ' 54' ' ' CYS . 0.6 OUTLIER . . . . . 0 N--CA 1.431 -1.417 0 CA-C-N 111.086 -2.779 . . . . 1.8100000000000001 113.669 -156.105 . . . . . . . . 2 2 . 1 stop_ save_