data_1fow_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 1fow _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' ' ' MET . . . . . 0.531 ' O ' ' CG2' ' A' ' 2' ' ' THR . 4.0 tpt . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.423 -0.584 . . . . 16.039999999999999 109.423 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.581 ' CG2' ' N ' ' A' ' 3' ' ' PHE . 0.5 OUTLIER 77.5 -163.43 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.494 -0.753 . . . . 12.529999999999999 109.594 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.581 ' N ' ' CG2' ' A' ' 2' ' ' THR . 1.3 m-85 -93.49 52.49 1.74 Allowed 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.126 -0.984 . . . . 12.08 110.185 -179.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.541 HG13 ' CG2' ' A' ' 2' ' ' THR . 3.1 mt -155.69 -143.64 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.143 -0.973 . . . . 8.1899999999999995 109.294 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.534 ' CG2' ' O ' ' A' ' 4' ' ' ILE . 2.2 p 86.49 -31.1 0.05 OUTLIER 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.79 -0.569 . . . . 6.2599999999999998 109.641 -179.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 7' ' ' THR . 0.8 OUTLIER -91.83 41.02 1.06 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.082 -1.011 . . . . 5.79 108.903 179.299 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.502 ' CG2' ' HB3' ' A' ' 50' ' ' ASP . 0.8 OUTLIER -41.16 150.28 0.32 Allowed Pre-proline 0 N--CA 1.491 1.594 0 O-C-N 121.495 -0.753 . . . . 1.76 109.935 -179.584 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.487 ' HB2' ' HD2' ' A' ' 9' ' ' PRO . 35.8 Cg_endo -78.41 175.4 11.12 Favored 'Trans proline' 0 C--N 1.31 -1.455 0 C-N-CA 122.747 2.298 . . . . 1.1200000000000001 110.231 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.487 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 34.2 Cg_endo -76.61 150.73 31.78 Favored 'Trans proline' 0 C--N 1.309 -1.505 0 C-N-CA 122.512 2.141 . . . . 0.93999999999999995 110.504 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.518 ' O ' ' CG ' ' A' ' 14' ' ' LEU . . . -72.1 -3.56 23.85 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.201 -0.937 . . . . 1.26 109.658 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.518 ' HA ' ' CE ' ' A' ' 70' ' ' MET . . . -89.7 -13.21 37.39 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.202 -0.936 . . . . 1.3600000000000001 109.359 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.526 HG11 ' N ' ' A' ' 13' ' ' LEU . 12.1 p -103.11 -29.53 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.189 -0.944 . . . . 1.3600000000000001 109.477 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.526 ' N ' HG11 ' A' ' 12' ' ' VAL . 10.8 mt -90.15 -41.76 11.45 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.198 -0.939 . . . . 1.47 109.319 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.523 ' CD2' HG22 ' A' ' 63' ' ' ILE . 88.3 mt -59.85 -59.21 5.79 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.294 -0.879 . . . . 1.3 109.175 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.58 ' CG ' ' CD1' ' A' ' 72' ' ' ILE . 4.9 mtmt -49.78 -23.83 2.05 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.302 -0.874 . . . . 2.1299999999999999 109.192 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -60.28 -50.06 75.13 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.297 -0.877 . . . . 3.0800000000000001 109.467 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . -48.86 -69.3 0.12 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.3 -0.875 . . . . 1.1499999999999999 109.557 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.508 ' CB ' HD13 ' A' ' 20' ' ' ILE . . . -43.94 -61.92 1.29 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.263 -0.898 . . . . 1.24 109.497 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.8 39.63 0.31 Allowed Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.675 -1.37 . . . . 0.90000000000000002 109.675 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.515 ' CD1' ' CB ' ' A' ' 33' ' ' ALA . 1.2 mp -113.24 56.24 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.162 -1.199 . . . . 1.6899999999999999 109.471 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -85.82 44.95 1.16 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.186 -0.947 . . . . 3.3100000000000001 109.469 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 23' ' ' GLY . 7.0 t 61.62 60.24 1.67 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.243 -0.911 . . . . 4.3300000000000001 109.441 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.457 ' O ' ' OG ' ' A' ' 24' ' ' SER . . . -43.75 -60.34 3.39 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.579 -1.408 . . . . 5.7800000000000002 109.579 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.457 ' OG ' ' O ' ' A' ' 23' ' ' GLY . 2.6 m 176.81 -31.07 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.218 -1.166 . . . . 8.0500000000000007 109.544 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.429 ' C ' ' HD3' ' A' ' 27' ' ' PRO . . . 137.21 71.39 0.06 OUTLIER Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.549 -1.42 . . . . 8.5899999999999999 109.549 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.471 ' N ' ' HD3' ' A' ' 27' ' ' PRO . 3.2 mt-10 -131.79 65.08 74.89 Favored Pre-proline 0 N--CA 1.489 1.507 0 O-C-N 121.295 -1.121 . . . . 10.130000000000001 109.774 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.471 ' HD3' ' N ' ' A' ' 26' ' ' GLU . 36.9 Cg_endo -80.85 42.61 1.37 Allowed 'Trans proline' 0 C--N 1.31 -1.468 0 C-N-CA 122.755 2.303 . . . . 8.3300000000000001 110.48 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.443 ' O ' ' O ' ' A' ' 27' ' ' PRO . 5.5 m120 -42.92 -92.25 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.234 -0.916 . . . . 9.2799999999999994 109.717 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 28' ' ' ASN . 2.9 mtp-105 -154.93 156.15 35.56 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.198 -0.938 . . . . 10.890000000000001 109.526 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.455 ' O ' ' HB2' ' A' ' 31' ' ' LYS . 5.6 m-80 57.58 -167.33 0.13 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.305 -0.872 . . . . 7.2800000000000002 109.438 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 30' ' ' ASN . 0.1 OUTLIER 70.12 86.8 0.12 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.247 -0.908 . . . . 8.0800000000000001 109.502 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.454 ' O ' ' CG2' ' A' ' 32' ' ' VAL . 9.8 p -109.43 35.43 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.26 -0.9 . . . . 2.5 109.372 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.515 ' CB ' ' CD1' ' A' ' 20' ' ' ILE . . . 47.56 83.24 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.295 -0.878 . . . . 1.3999999999999999 109.569 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.54 ' CG2' HG13 ' A' ' 73' ' ' VAL . 0.2 OUTLIER -92.42 128.17 38.17 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.215 -0.928 . . . . 1.1499999999999999 109.444 179.855 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.519 HG13 ' CG2' ' A' ' 72' ' ' ILE . 11.9 mt -117.95 107.32 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.188 -0.945 . . . . 1.52 109.592 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.474 ' HA ' ' HB2' ' A' ' 75' ' ' GLU . 44.6 mttp -45.17 164.16 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.164 -0.96 . . . . 2.9199999999999999 109.288 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.519 ' NE ' HG12 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -84.46 -36.2 22.47 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.208 -0.932 . . . . 2.2999999999999998 109.005 179.766 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.18 -12.47 40.53 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.42 -0.8 . . . . 2.1899999999999999 109.379 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.38 -54.44 2.49 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.27 -0.894 . . . . 2.9399999999999999 109.506 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.59 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 0.4 OUTLIER -49.82 -48.95 21.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.226 -0.921 . . . . 1.1699999999999999 109.261 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.568 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 2.3 ttm180 -59.61 -45.18 92.71 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.358 -0.838 . . . . 2.7000000000000002 109.296 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -46.02 -51.21 13.99 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.273 -0.892 . . . . 2.1099999999999999 109.266 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.4 HD11 HD22 ' A' ' 14' ' ' LEU . 78.4 mt -56.65 -44.83 82.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.32 -0.862 . . . . 1.51 109.24 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.528 ' CB ' HG13 ' A' ' 63' ' ' ILE . . . -58.53 -28.16 65.21 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.241 -0.912 . . . . 1.1000000000000001 109.445 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.454 ' O ' ' HB2' ' A' ' 48' ' ' MET . 0.8 OUTLIER -71.26 -40.09 71.2 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.288 -0.883 . . . . 2.0499999999999998 109.38 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.9 -36.8 84.56 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.286 -0.884 . . . . 2.4300000000000002 109.41 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.519 ' O ' ' CD1' ' A' ' 51' ' ' LEU . 0.6 OUTLIER -100.73 16.46 24.9 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.234 -0.916 . . . . 2.6000000000000001 109.39 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.543 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -55.67 -52.75 69.52 Favored Pre-proline 0 N--CA 1.49 1.545 0 O-C-N 121.301 -0.874 . . . . 1.8100000000000001 109.913 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 48' ' ' MET . 34.8 Cg_endo -77.96 -3.5 13.55 Favored 'Trans proline' 0 C--N 1.31 -1.48 0 C-N-CA 122.408 2.072 . . . . 0.87 110.422 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.502 ' HB3' ' CG2' ' A' ' 7' ' ' THR . 5.8 m-20 -105.9 -11.56 16.16 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.267 -0.896 . . . . 1.71 109.372 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.519 ' CD1' ' O ' ' A' ' 47' ' ' LYS . 3.6 mt -99.85 -9.47 22.85 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.226 -0.921 . . . . 1.8799999999999999 109.421 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 51' ' ' LEU . 6.3 t30 73.73 35.83 0.8 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.258 -0.901 . . . . 2.8999999999999999 109.459 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.422 ' CB ' ' HB2' ' A' ' 58' ' ' ALA . . . -97.93 149.99 21.81 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.266 -0.896 . . . . 1.1799999999999999 109.506 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.8 -30.34 28.91 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.265 -0.897 . . . . 1.3700000000000001 109.515 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.448 ' CA ' ' HE2' ' A' ' 48' ' ' MET . 2.1 p -155.9 -179.3 7.99 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.2 -0.938 . . . . 1.1299999999999999 109.5 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.408 ' O ' ' C ' ' A' ' 57' ' ' GLU . 12.2 mm -60.03 -47.55 91.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.277 -0.89 . . . . 1.45 109.449 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.46 ' O ' ' HB2' ' A' ' 61' ' ' ARG . 22.5 mt-10 -44.23 -28.45 0.52 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.216 -0.928 . . . . 1.96 109.193 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.422 ' HB2' ' CB ' ' A' ' 53' ' ' ALA . . . -90.14 -35.61 15.3 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.331 -0.856 . . . . 1.1399999999999999 109.427 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.21 -67.58 0.72 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.272 -0.892 . . . . 1.0900000000000001 109.47 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.405 ' HG3' ' HB2' ' A' ' 41' ' ' ARG . 1.4 tmm? -44.25 -27.2 0.39 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.233 -0.917 . . . . 1.96 109.391 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.46 ' HB2' ' O ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -60.85 -52.34 65.49 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.263 -0.898 . . . . 3.8999999999999999 109.364 179.914 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.486 ' O ' ' CB ' ' A' ' 66' ' ' THR . 11.0 mtt -65.35 -22.05 66.76 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.404 -0.81 . . . . 1.1799999999999999 109.228 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.59 ' CG2' ' CG2' ' A' ' 40' ' ' VAL . 22.4 mm -79.15 -27.86 13.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.385 -0.822 . . . . 1.5900000000000001 109.526 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -82.0 -42.89 18.73 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.167 -0.958 . . . . 2.1800000000000002 109.304 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.1 -28.63 58.09 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.425 -1.47 . . . . 0.46999999999999997 109.425 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.486 ' CB ' ' O ' ' A' ' 62' ' ' MET . 58.6 m -86.46 -30.38 22.08 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.273 -1.134 . . . . 1.22 109.292 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 63' ' ' ILE . . . -90.06 15.36 10.28 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.29 -0.881 . . . . 1.0800000000000001 109.251 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.471 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 0.6 OUTLIER -127.33 -40.05 1.84 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.356 -0.84 . . . . 3.9100000000000001 109.436 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.1 m -62.53 -13.77 34.53 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.24 -0.913 . . . . 2.21 109.577 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.518 ' CE ' ' HA ' ' A' ' 11' ' ' ALA . 40.9 mtm -92.33 -23.64 19.19 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.185 -0.947 . . . . 1.4099999999999999 109.484 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 126.34 -11.77 7.17 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.593 -1.403 . . . . 0.73999999999999999 109.593 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.58 ' CD1' ' CG ' ' A' ' 15' ' ' LYS . 2.6 mt -80.88 148.67 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.25 -1.147 . . . . 1.23 109.499 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.54 HG13 ' CG2' ' A' ' 34' ' ' THR . 2.4 p -110.37 -176.76 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.231 -0.918 . . . . 1.2 109.074 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.519 HG12 ' NE ' ' A' ' 37' ' ' ARG . 0.3 OUTLIER -142.25 127.18 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.086 -1.009 . . . . 1.22 109.394 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.474 ' HB2' ' HA ' ' A' ' 36' ' ' LYS . 0.6 OUTLIER -94.11 95.24 8.87 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.232 -0.917 . . . . 2.9100000000000001 109.614 -179.872 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.446 ' HA ' ' HB2' ' A' ' 37' ' ' ARG . 9.2 t70 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 118.005 -0.998 . . . . 3.0299999999999998 109.618 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.795 ' O ' HG22 ' A' ' 2' ' ' THR . 4.0 tpt . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.423 -0.584 . . . . 15.85 109.423 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.82 HG23 ' N ' ' A' ' 3' ' ' PHE . 0.5 OUTLIER 77.5 -163.43 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.494 -0.753 . . . . 12.24 109.594 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.82 ' N ' HG23 ' A' ' 2' ' ' THR . 1.3 m-85 -93.49 52.49 1.74 Allowed 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.126 -0.984 . . . . 11.48 110.185 -179.26 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.751 ' C ' HG23 ' A' ' 5' ' ' THR . 3.1 mt -155.69 -143.64 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.143 -0.973 . . . . 7.82 109.294 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.751 HG23 ' C ' ' A' ' 4' ' ' ILE . 2.2 p 86.49 -31.1 0.05 OUTLIER 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.79 -0.569 . . . . 5.95 109.641 -179.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 7' ' ' THR . 0.8 OUTLIER -91.83 41.02 1.06 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.082 -1.011 . . . . 5.38 108.903 179.299 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.724 HG21 ' CB ' ' A' ' 50' ' ' ASP . 0.8 OUTLIER -41.16 150.28 0.32 Allowed Pre-proline 0 N--CA 1.491 1.594 0 O-C-N 121.495 -0.753 . . . . 1.46 109.935 -179.584 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.507 ' HB2' ' HD2' ' A' ' 9' ' ' PRO . 35.8 Cg_endo -78.41 175.4 11.12 Favored 'Trans proline' 0 C--N 1.31 -1.455 0 C-N-CA 122.747 2.298 . . . . 1.0 110.231 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.67 ' O ' HG12 ' A' ' 12' ' ' VAL . 34.2 Cg_endo -76.61 150.73 31.78 Favored 'Trans proline' 0 C--N 1.309 -1.505 0 C-N-CA 122.512 2.141 . . . . 0.93 110.504 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.702 ' HB3' HG21 ' A' ' 66' ' ' THR . . . -72.1 -3.56 23.85 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.201 -0.937 . . . . 0.72 109.658 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.911 ' HB1' ' SD ' ' A' ' 70' ' ' MET . . . -89.7 -13.21 37.39 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.202 -0.936 . . . . 1.06 109.359 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.67 HG12 ' O ' ' A' ' 9' ' ' PRO . 12.1 p -103.11 -29.53 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.189 -0.944 . . . . 0.77 109.477 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.519 ' HA ' HD23 ' A' ' 13' ' ' LEU . 10.8 mt -90.15 -41.76 11.45 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.198 -0.939 . . . . 0.87 109.319 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.678 HD13 ' HB2' ' A' ' 67' ' ' ALA . 88.3 mt -59.85 -59.21 5.79 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.294 -0.879 . . . . 0.57 109.175 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.893 ' CG ' HD11 ' A' ' 72' ' ' ILE . 4.9 mtmt -49.78 -23.83 2.05 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.302 -0.874 . . . . 1.6 109.192 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -60.28 -50.06 75.13 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.297 -0.877 . . . . 2.55 109.467 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.404 ' HB2' HD11 ' A' ' 43' ' ' ILE . . . -48.86 -69.3 0.12 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.3 -0.875 . . . . 0.75 109.557 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.511 ' HB2' HG12 ' A' ' 35' ' ' ILE . . . -43.94 -61.92 1.29 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.263 -0.898 . . . . 0.88 109.497 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.8 39.63 0.31 Allowed Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.675 -1.37 . . . . 0.9 109.675 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.866 HD11 ' HB1' ' A' ' 33' ' ' ALA . 1.2 mp -113.24 56.24 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.162 -1.199 . . . . 1.69 109.471 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -85.82 44.95 1.16 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.186 -0.947 . . . . 3.31 109.469 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 23' ' ' GLY . 7.0 t 61.62 60.24 1.67 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.243 -0.911 . . . . 3.94 109.441 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 22' ' ' SER . . . -43.75 -60.34 3.39 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.579 -1.408 . . . . 5.78 109.579 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.404 ' OG ' ' O ' ' A' ' 23' ' ' GLY . 2.6 m 176.81 -31.07 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.218 -1.166 . . . . 7.73 109.544 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.459 ' C ' ' HD3' ' A' ' 27' ' ' PRO . . . 137.21 71.39 0.06 OUTLIER Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.549 -1.42 . . . . 8.46 109.549 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.476 ' N ' ' HD3' ' A' ' 27' ' ' PRO . 3.2 mt-10 -131.79 65.08 74.89 Favored Pre-proline 0 N--CA 1.489 1.507 0 O-C-N 121.295 -1.121 . . . . 10.13 109.774 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.476 ' HD3' ' N ' ' A' ' 26' ' ' GLU . 36.9 Cg_endo -80.85 42.61 1.37 Allowed 'Trans proline' 0 C--N 1.31 -1.468 0 C-N-CA 122.755 2.303 . . . . 8.0 110.48 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.443 ' O ' ' O ' ' A' ' 27' ' ' PRO . 5.5 m120 -42.92 -92.25 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.234 -0.916 . . . . 8.89 109.717 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.444 ' CZ ' ' HB2' ' A' ' 29' ' ' ARG . 2.9 mtp-105 -154.93 156.15 35.56 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.198 -0.938 . . . . 10.27 109.526 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.438 ' O ' ' HB2' ' A' ' 31' ' ' LYS . 5.6 m120 57.58 -167.33 0.13 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.305 -0.872 . . . . 6.72 109.438 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 30' ' ' ASN . 0.1 OUTLIER 70.12 86.8 0.12 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.247 -0.908 . . . . 7.67 109.502 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.715 HG22 ' O ' ' A' ' 32' ' ' VAL . 9.8 p -109.43 35.43 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.26 -0.9 . . . . 2.1 109.372 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.866 ' HB1' HD11 ' A' ' 20' ' ' ILE . . . 47.56 83.24 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.295 -0.878 . . . . 0.78 109.569 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.818 HG22 ' CG1' ' A' ' 73' ' ' VAL . 0.2 OUTLIER -92.42 128.17 38.17 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.215 -0.928 . . . . 0.56 109.444 179.855 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.553 HG22 ' HB ' ' A' ' 40' ' ' VAL . 11.9 mt -117.95 107.32 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.188 -0.945 . . . . 0.82 109.592 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.491 ' HA ' ' HB2' ' A' ' 75' ' ' GLU . 44.6 mttp -45.17 164.16 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.164 -0.96 . . . . 2.45 109.288 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.549 ' HD3' HG22 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -84.46 -36.2 22.47 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.208 -0.932 . . . . 1.74 109.005 179.766 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.18 -12.47 40.53 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.42 -0.8 . . . . 2.19 109.379 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.38 -54.44 2.49 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.27 -0.894 . . . . 2.42 109.506 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 1.049 HG22 ' CG2' ' A' ' 63' ' ' ILE . 0.4 OUTLIER -49.82 -48.95 21.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.226 -0.921 . . . . 0.44 109.261 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.568 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 2.3 ttm180 -59.61 -45.18 92.71 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.358 -0.838 . . . . 2.22 109.296 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -46.02 -51.21 13.99 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.273 -0.892 . . . . 2.11 109.266 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.404 HD11 ' HB2' ' A' ' 17' ' ' ALA . 78.4 mt -56.65 -44.83 82.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.32 -0.862 . . . . 0.88 109.24 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 1.055 ' HB2' HG13 ' A' ' 63' ' ' ILE . . . -58.53 -28.16 65.21 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.241 -0.912 . . . . 0.46 109.445 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' A' ' 48' ' ' MET . 0.8 OUTLIER -71.26 -40.09 71.2 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.288 -0.883 . . . . 2.05 109.38 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.9 -36.8 84.56 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.286 -0.884 . . . . 1.85 109.41 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.573 ' O ' HD12 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -100.73 16.46 24.9 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.234 -0.916 . . . . 2.12 109.39 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.554 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -55.67 -52.75 69.52 Favored Pre-proline 0 N--CA 1.49 1.545 0 O-C-N 121.301 -0.874 . . . . 1.36 109.913 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.554 ' HD2' ' N ' ' A' ' 48' ' ' MET . 34.8 Cg_endo -77.96 -3.5 13.55 Favored 'Trans proline' 0 C--N 1.31 -1.48 0 C-N-CA 122.408 2.072 . . . . 0.87 110.422 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.724 ' CB ' HG21 ' A' ' 7' ' ' THR . 5.8 m-20 -105.9 -11.56 16.16 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.267 -0.896 . . . . 1.71 109.372 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.573 HD12 ' O ' ' A' ' 47' ' ' LYS . 3.6 mt -99.85 -9.47 22.85 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.226 -0.921 . . . . 1.3 109.421 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 51' ' ' LEU . 6.3 t30 73.73 35.83 0.8 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.258 -0.901 . . . . 2.39 109.459 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.645 ' HB1' ' HB3' ' A' ' 58' ' ' ALA . . . -97.93 149.99 21.81 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.266 -0.896 . . . . 0.61 109.506 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.8 -30.34 28.91 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.265 -0.897 . . . . 0.8 109.515 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.549 ' HA ' ' HE1' ' A' ' 48' ' ' MET . 2.1 p -155.9 -179.3 7.99 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.2 -0.938 . . . . 0.63 109.5 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.641 HG22 ' HB2' ' A' ' 60' ' ' MET . 12.2 mm -60.03 -47.55 91.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.277 -0.89 . . . . 0.95 109.449 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' A' ' 61' ' ' ARG . 22.5 mt-10 -44.23 -28.45 0.52 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.216 -0.928 . . . . 1.96 109.193 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.645 ' HB3' ' HB1' ' A' ' 53' ' ' ALA . . . -90.14 -35.61 15.3 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.331 -0.856 . . . . 0.44 109.427 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.464 ' HB1' ' HB1' ' A' ' 44' ' ' ALA . . . -78.21 -67.58 0.72 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.272 -0.892 . . . . 0.33 109.47 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.641 ' HB2' HG22 ' A' ' 56' ' ' ILE . 1.4 tmm? -44.25 -27.2 0.39 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.233 -0.917 . . . . 1.69 109.391 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.459 ' HB2' ' O ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -60.85 -52.34 65.49 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.263 -0.898 . . . . 3.29 109.364 179.914 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.486 ' O ' ' CB ' ' A' ' 66' ' ' THR . 11.0 mtt -65.35 -22.05 66.76 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.404 -0.81 . . . . 0.67 109.228 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.055 HG13 ' HB2' ' A' ' 44' ' ' ALA . 22.4 mm -79.15 -27.86 13.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.385 -0.822 . . . . 0.92 109.526 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -82.0 -42.89 18.73 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.167 -0.958 . . . . 2.18 109.304 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.1 -28.63 58.09 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.425 -1.47 . . . . 0.42 109.425 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.702 HG21 ' HB3' ' A' ' 10' ' ' ALA . 58.6 m -86.46 -30.38 22.08 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.273 -1.134 . . . . 0.52 109.292 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.678 ' HB2' HD13 ' A' ' 14' ' ' LEU . . . -90.06 15.36 10.28 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.29 -0.881 . . . . 0.69 109.251 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.482 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 0.6 OUTLIER -127.33 -40.05 1.84 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.356 -0.84 . . . . 3.33 109.436 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.1 m -62.53 -13.77 34.53 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.24 -0.913 . . . . 1.8 109.577 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.911 ' SD ' ' HB1' ' A' ' 11' ' ' ALA . 40.9 mtm -92.33 -23.64 19.19 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.185 -0.947 . . . . 0.97 109.484 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 126.34 -11.77 7.17 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.593 -1.403 . . . . 0.74 109.593 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.893 HD11 ' CG ' ' A' ' 15' ' ' LYS . 2.6 mt -80.88 148.67 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.25 -1.147 . . . . 0.55 109.499 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.818 ' CG1' HG22 ' A' ' 34' ' ' THR . 2.4 p -110.37 -176.76 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.231 -0.918 . . . . 0.53 109.074 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.714 ' H ' HG22 ' A' ' 73' ' ' VAL . 0.3 OUTLIER -142.25 127.18 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.086 -1.009 . . . . 0.59 109.394 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.491 ' HB2' ' HA ' ' A' ' 36' ' ' LYS . 0.6 OUTLIER -94.11 95.24 8.87 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.232 -0.917 . . . . 2.91 109.614 -179.872 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.459 ' HA ' ' HB2' ' A' ' 37' ' ' ARG . 9.2 t70 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 118.005 -0.998 . . . . 3.03 109.618 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.795 ' O ' HG22 ' A' ' 2' ' ' THR . 4.0 tpt . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.423 -0.584 . . . . 15.85 109.423 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.82 HG23 ' N ' ' A' ' 3' ' ' PHE . 0.5 OUTLIER 77.5 -163.43 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.494 -0.753 . . . . 12.24 109.594 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.82 ' N ' HG23 ' A' ' 2' ' ' THR . 1.3 m-85 -93.49 52.49 1.74 Allowed 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.126 -0.984 . . . . 11.48 110.185 -179.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.751 ' C ' HG23 ' A' ' 5' ' ' THR . 3.1 mt -155.69 -143.64 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.143 -0.973 . . . . 7.82 109.294 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.751 HG23 ' C ' ' A' ' 4' ' ' ILE . 2.2 p 86.49 -31.1 0.05 OUTLIER 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.79 -0.569 . . . . 5.95 109.641 -179.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 7' ' ' THR . 0.8 OUTLIER -91.83 41.02 1.06 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.082 -1.011 . . . . 5.38 108.903 179.299 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.724 HG21 ' CB ' ' A' ' 50' ' ' ASP . 0.8 OUTLIER -41.16 150.28 0.32 Allowed Pre-proline 0 N--CA 1.491 1.594 0 O-C-N 121.495 -0.753 . . . . 1.46 109.935 -179.584 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.507 ' HB2' ' HD2' ' A' ' 9' ' ' PRO . 35.8 Cg_endo -78.41 175.4 11.12 Favored 'Trans proline' 0 C--N 1.31 -1.455 0 C-N-CA 122.747 2.298 . . . . 1.0 110.231 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.67 ' O ' HG12 ' A' ' 12' ' ' VAL . 34.2 Cg_endo -76.61 150.73 31.78 Favored 'Trans proline' 0 C--N 1.309 -1.505 0 C-N-CA 122.512 2.141 . . . . 0.93 110.504 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.702 ' HB3' HG21 ' A' ' 66' ' ' THR . . . -72.1 -3.56 23.85 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.201 -0.937 . . . . 0.72 109.658 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.911 ' HB1' ' SD ' ' A' ' 70' ' ' MET . . . -89.7 -13.21 37.39 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.202 -0.936 . . . . 1.06 109.359 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.67 HG12 ' O ' ' A' ' 9' ' ' PRO . 12.1 p -103.11 -29.53 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.189 -0.944 . . . . 0.77 109.477 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.519 ' HA ' HD23 ' A' ' 13' ' ' LEU . 10.8 mt -90.15 -41.76 11.45 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.198 -0.939 . . . . 0.87 109.319 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.678 HD13 ' HB2' ' A' ' 67' ' ' ALA . 88.3 mt -59.85 -59.21 5.79 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.294 -0.879 . . . . 0.57 109.175 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.893 ' CG ' HD11 ' A' ' 72' ' ' ILE . 4.9 mtmt -49.78 -23.83 2.05 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.302 -0.874 . . . . 1.6 109.192 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -60.28 -50.06 75.13 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.297 -0.877 . . . . 2.55 109.467 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.404 ' HB2' HD11 ' A' ' 43' ' ' ILE . . . -48.86 -69.3 0.12 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.3 -0.875 . . . . 0.75 109.557 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.511 ' HB2' HG12 ' A' ' 35' ' ' ILE . . . -43.94 -61.92 1.29 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.263 -0.898 . . . . 0.88 109.497 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.8 39.63 0.31 Allowed Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.675 -1.37 . . . . 0.9 109.675 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.866 HD11 ' HB1' ' A' ' 33' ' ' ALA . 1.2 mp -113.24 56.24 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.162 -1.199 . . . . 1.69 109.471 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -85.82 44.95 1.16 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.186 -0.947 . . . . 3.31 109.469 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 23' ' ' GLY . 7.0 t 61.62 60.24 1.67 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.243 -0.911 . . . . 3.94 109.441 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 22' ' ' SER . . . -43.75 -60.34 3.39 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.579 -1.408 . . . . 5.78 109.579 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.404 ' OG ' ' O ' ' A' ' 23' ' ' GLY . 2.6 m 176.81 -31.07 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.218 -1.166 . . . . 7.73 109.544 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.459 ' C ' ' HD3' ' A' ' 27' ' ' PRO . . . 137.21 71.39 0.06 OUTLIER Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.549 -1.42 . . . . 8.46 109.549 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.476 ' N ' ' HD3' ' A' ' 27' ' ' PRO . 3.2 mt-10 -131.79 65.08 74.89 Favored Pre-proline 0 N--CA 1.489 1.507 0 O-C-N 121.295 -1.121 . . . . 10.13 109.774 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.476 ' HD3' ' N ' ' A' ' 26' ' ' GLU . 36.9 Cg_endo -80.85 42.61 1.37 Allowed 'Trans proline' 0 C--N 1.31 -1.468 0 C-N-CA 122.755 2.303 . . . . 8.0 110.48 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.443 ' O ' ' O ' ' A' ' 27' ' ' PRO . 5.5 m120 -42.92 -92.25 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.234 -0.916 . . . . 8.89 109.717 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.444 ' CZ ' ' HB2' ' A' ' 29' ' ' ARG . 2.9 mtp-105 -154.93 156.15 35.56 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.198 -0.938 . . . . 10.27 109.526 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.438 ' O ' ' HB2' ' A' ' 31' ' ' LYS . 5.6 m-80 57.58 -167.33 0.13 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.305 -0.872 . . . . 6.72 109.438 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 30' ' ' ASN . 0.1 OUTLIER 70.12 86.8 0.12 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.247 -0.908 . . . . 7.67 109.502 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.715 HG22 ' O ' ' A' ' 32' ' ' VAL . 9.8 p -109.43 35.43 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.26 -0.9 . . . . 2.1 109.372 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.866 ' HB1' HD11 ' A' ' 20' ' ' ILE . . . 47.56 83.24 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.295 -0.878 . . . . 0.78 109.569 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.818 HG22 ' CG1' ' A' ' 73' ' ' VAL . 0.2 OUTLIER -92.42 128.17 38.17 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.215 -0.928 . . . . 0.56 109.444 179.855 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.553 HG22 ' HB ' ' A' ' 40' ' ' VAL . 11.9 mt -117.95 107.32 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.188 -0.945 . . . . 0.82 109.592 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.491 ' HA ' ' HB2' ' A' ' 75' ' ' GLU . 44.6 mttp -45.17 164.16 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.164 -0.96 . . . . 2.45 109.288 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.549 ' HD3' HG22 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -84.46 -36.2 22.47 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.208 -0.932 . . . . 1.74 109.005 179.766 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.18 -12.47 40.53 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.42 -0.8 . . . . 2.19 109.379 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.38 -54.44 2.49 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.27 -0.894 . . . . 2.42 109.506 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 1.049 HG22 ' CG2' ' A' ' 63' ' ' ILE . 0.4 OUTLIER -49.82 -48.95 21.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.226 -0.921 . . . . 0.44 109.261 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.568 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 2.3 ttm180 -59.61 -45.18 92.71 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.358 -0.838 . . . . 2.22 109.296 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -46.02 -51.21 13.99 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.273 -0.892 . . . . 2.11 109.266 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.404 HD11 ' HB2' ' A' ' 17' ' ' ALA . 78.4 mt -56.65 -44.83 82.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.32 -0.862 . . . . 0.88 109.24 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 1.055 ' HB2' HG13 ' A' ' 63' ' ' ILE . . . -58.53 -28.16 65.21 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.241 -0.912 . . . . 0.46 109.445 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' A' ' 48' ' ' MET . 0.8 OUTLIER -71.26 -40.09 71.2 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.288 -0.883 . . . . 2.05 109.38 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.9 -36.8 84.56 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.286 -0.884 . . . . 1.85 109.41 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.573 ' O ' HD12 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -100.73 16.46 24.9 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.234 -0.916 . . . . 2.12 109.39 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.554 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -55.67 -52.75 69.52 Favored Pre-proline 0 N--CA 1.49 1.545 0 O-C-N 121.301 -0.874 . . . . 1.36 109.913 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.554 ' HD2' ' N ' ' A' ' 48' ' ' MET . 34.8 Cg_endo -77.96 -3.5 13.55 Favored 'Trans proline' 0 C--N 1.31 -1.48 0 C-N-CA 122.408 2.072 . . . . 0.87 110.422 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.724 ' CB ' HG21 ' A' ' 7' ' ' THR . 5.8 m-20 -105.9 -11.56 16.16 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.267 -0.896 . . . . 1.71 109.372 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.573 HD12 ' O ' ' A' ' 47' ' ' LYS . 3.6 mt -99.85 -9.47 22.85 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.226 -0.921 . . . . 1.3 109.421 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 51' ' ' LEU . 6.3 t30 73.73 35.83 0.8 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.258 -0.901 . . . . 2.39 109.459 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.645 ' HB1' ' HB3' ' A' ' 58' ' ' ALA . . . -97.93 149.99 21.81 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.266 -0.896 . . . . 0.61 109.506 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.8 -30.34 28.91 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.265 -0.897 . . . . 0.8 109.515 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.549 ' HA ' ' HE1' ' A' ' 48' ' ' MET . 2.1 p -155.9 -179.3 7.99 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.2 -0.938 . . . . 0.63 109.5 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.641 HG22 ' HB2' ' A' ' 60' ' ' MET . 12.2 mm -60.03 -47.55 91.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.277 -0.89 . . . . 0.95 109.449 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' A' ' 61' ' ' ARG . 22.5 mt-10 -44.23 -28.45 0.52 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.216 -0.928 . . . . 1.96 109.193 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.645 ' HB3' ' HB1' ' A' ' 53' ' ' ALA . . . -90.14 -35.61 15.3 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.331 -0.856 . . . . 0.44 109.427 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.464 ' HB1' ' HB1' ' A' ' 44' ' ' ALA . . . -78.21 -67.58 0.72 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.272 -0.892 . . . . 0.33 109.47 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.641 ' HB2' HG22 ' A' ' 56' ' ' ILE . 1.4 tmm? -44.25 -27.2 0.39 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.233 -0.917 . . . . 1.69 109.391 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.459 ' HB2' ' O ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -60.85 -52.34 65.49 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.263 -0.898 . . . . 3.29 109.364 179.914 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.486 ' O ' ' CB ' ' A' ' 66' ' ' THR . 11.0 mtt -65.35 -22.05 66.76 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.404 -0.81 . . . . 0.67 109.228 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.055 HG13 ' HB2' ' A' ' 44' ' ' ALA . 22.4 mm -79.15 -27.86 13.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.385 -0.822 . . . . 0.92 109.526 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -82.0 -42.89 18.73 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.167 -0.958 . . . . 2.18 109.304 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.1 -28.63 58.09 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.425 -1.47 . . . . 0.42 109.425 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.702 HG21 ' HB3' ' A' ' 10' ' ' ALA . 58.6 m -86.46 -30.38 22.08 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.273 -1.134 . . . . 0.52 109.292 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.678 ' HB2' HD13 ' A' ' 14' ' ' LEU . . . -90.06 15.36 10.28 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.29 -0.881 . . . . 0.69 109.251 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.482 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 0.6 OUTLIER -127.33 -40.05 1.84 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.356 -0.84 . . . . 3.33 109.436 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.1 m -62.53 -13.77 34.53 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.24 -0.913 . . . . 1.8 109.577 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.911 ' SD ' ' HB1' ' A' ' 11' ' ' ALA . 40.9 mtm -92.33 -23.64 19.19 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.185 -0.947 . . . . 0.97 109.484 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 126.34 -11.77 7.17 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.593 -1.403 . . . . 0.74 109.593 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.893 HD11 ' CG ' ' A' ' 15' ' ' LYS . 2.6 mt -80.88 148.67 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.25 -1.147 . . . . 0.55 109.499 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.818 ' CG1' HG22 ' A' ' 34' ' ' THR . 2.4 p -110.37 -176.76 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.231 -0.918 . . . . 0.53 109.074 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.714 ' H ' HG22 ' A' ' 73' ' ' VAL . 0.3 OUTLIER -142.25 127.18 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.086 -1.009 . . . . 0.59 109.394 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.491 ' HB2' ' HA ' ' A' ' 36' ' ' LYS . 0.6 OUTLIER -94.11 95.24 8.87 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.232 -0.917 . . . . 2.91 109.614 -179.872 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.459 ' HA ' ' HB2' ' A' ' 37' ' ' ARG . 9.2 t70 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 118.005 -0.998 . . . . 3.03 109.618 179.981 . . . . . . . . 1 1 . 1 stop_ save_