data_1r1b_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 1r1b _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 . . . . . 0.516 ' HA ' HG22 ' A' ' 44' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.666 -0.494 . . . . 6.9800000000000004 109.666 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.1 p -138.53 153.3 25.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.197 -0.456 . . . . 2.9300000000000002 109.774 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.745 ' HB2' ' CG2' ' A' ' 6' ' ' ILE . 7.0 p90 -138.33 114.61 10.28 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.507 0.67 . . . . 0.91000000000000003 109.459 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -69.28 -104.76 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.902 1.075 . . . . 1.73 113.902 -175.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -39.94 -43.91 1.6 Allowed 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.262 0.838 . . . . 2.79 113.262 -175.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.745 ' CG2' ' HB2' ' A' ' 3' ' ' TYR . 0.3 OUTLIER -57.49 -49.07 81.52 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.021 0 N-CA-C 109.586 -0.524 . . . . 1.04 109.586 -179.401 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.673 ' HB3' ' CE2' ' A' ' 3' ' ' TYR . . . -72.27 -44.4 62.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.242 0.544 . . . . 1.05 109.8 177.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.412 ' O ' ' HG2' ' A' ' 11' ' ' GLU . . . -36.68 -71.08 0.08 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.8 -1.091 . . . . 1.0700000000000001 112.185 -178.072 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.613 ' OE1' ' HA ' ' A' ' 29' ' ' ALA . 3.8 pp0? -85.31 -16.66 39.31 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 118.711 -1.196 . . . . 1.04 110.476 -177.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.643 ' CA ' HD23 ' A' ' 33' ' ' LEU . . . -53.29 -53.81 32.8 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 109.223 -1.551 . . . . 0.19 109.223 177.149 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 8' ' ' ALA . 9.2 pt-20 -67.08 -28.68 68.39 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.284 -0.265 . . . . 2.4300000000000002 110.284 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.582 ' CG2' ' HA ' ' A' ' 9' ' ' GLN . 55.6 t -50.72 -53.96 11.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.421 -0.585 . . . . 1.0900000000000001 109.421 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.66 ' CG2' ' HA ' ' A' ' 26' ' ' VAL . 1.5 t -69.24 -40.19 80.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.201 -0.454 . . . . 1.3600000000000001 110.951 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.8 mtm180 -54.01 -41.96 68.54 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.373 -0.603 . . . . 3.5099999999999998 109.373 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -70.06 -40.02 75.33 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.555 -0.535 . . . . 2.0699999999999998 109.555 178.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.4 ' HB3' ' HB2' ' A' ' 21' ' ' ALA . 3.5 mp -59.81 -58.07 10.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.398 -0.364 . . . . 1.8200000000000001 110.722 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.67 -30.24 67.2 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.653 -0.419 . . . . 2.1600000000000001 110.412 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.98 -48.32 66.12 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.562 -0.533 . . . . 1.0600000000000001 109.562 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.484 ' O ' ' HB2' ' A' ' 20' ' ' LYS . 50.9 mt-10 -84.87 8.94 15.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.945 -0.57 . . . . 1.47 110.921 179.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.484 ' HB2' ' O ' ' A' ' 19' ' ' GLU . 86.3 mttt 75.02 100.67 0.07 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.503 0.668 . . . . 2.3900000000000001 110.409 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.703 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -136.94 -179.4 1.06 Allowed Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 108.504 -0.924 . . . . 1.05 108.504 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.703 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 57.0 Cg_endo -76.78 144.82 24.99 Favored 'Trans proline' 0 N--CA 1.457 -0.676 0 C-N-CA 122.149 1.9 . . . . 0.38 112.248 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.428 ' O ' HG22 ' A' ' 27' ' ' THR . 56.7 mtmt -63.32 -34.61 78.06 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.923 -0.58 . . . . 3.0800000000000001 110.073 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.67 -39.33 61.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.2 -0.454 . . . . 1.1499999999999999 110.936 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.443 ' N ' ' CD ' ' A' ' 25' ' ' LYS . 7.0 mptt -79.37 -44.93 20.56 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.642 -0.423 . . . . 1.9299999999999999 110.114 -179.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.66 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 29.7 t -53.38 -51.37 41.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 C-N-CA 120.754 -0.378 . . . . 1.0800000000000001 110.42 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.504 ' HA ' ' HB ' ' A' ' 30' ' ' VAL . 9.0 t -65.94 -36.85 84.48 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.294 -0.562 . . . . 1.8700000000000001 110.212 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -51.88 -48.21 64.17 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.601 -0.889 . . . . 2.3900000000000001 108.601 178.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.613 ' HA ' ' OE1' ' A' ' 9' ' ' GLN . . . -64.98 -41.62 95.26 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.98 -0.555 . . . . 1.05 109.778 178.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.504 ' HB ' ' HA ' ' A' ' 27' ' ' THR . 1.1 t -47.65 -41.01 7.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.517 0.675 . . . . 1.1699999999999999 109.184 179.145 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -67.2 -53.27 31.85 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.441 -0.799 . . . . 1.6000000000000001 111.46 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.52 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 2.5 m -54.22 -28.73 42.94 Favored 'General case' 0 C--O 1.22 -0.465 0 N-CA-C 108.58 -0.896 . . . . 0.69999999999999996 108.58 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.643 HD23 ' CA ' ' A' ' 10' ' ' GLY . 89.2 mt -67.37 -51.73 48.57 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.428 -0.509 . . . . 1.24 109.822 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.516 ' O ' ' HG2' ' A' ' 37' ' ' LYS . 6.0 tt -68.71 -41.87 78.5 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.275 0.56 . . . . 2.23 110.791 -179.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.5 m -69.26 -56.28 8.05 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.315 -0.402 . . . . 1.5900000000000001 111.401 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.52 ' HB2' ' O ' ' A' ' 32' ' ' CYS . 0.3 OUTLIER -58.32 -46.11 86.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.513 -0.312 . . . . 2.1400000000000001 110.676 -178.282 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.546 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 5.6 pttt -55.45 -41.26 72.62 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 119.951 -0.699 . . . . 1.6200000000000001 109.904 -179.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.546 ' N ' ' HG3' ' A' ' 37' ' ' LYS . . . -59.24 -39.22 82.07 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.297 -0.631 . . . . 1.1000000000000001 109.297 179.192 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -69.08 -40.75 78.25 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.864 -0.791 . . . . 2.1600000000000001 108.864 178.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.6 ' CD2' ' HB2' ' A' ' 48' ' ' TYR . 45.7 t80 -53.47 -89.09 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.332 -0.849 . . . . 0.98999999999999999 110.168 178.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.747 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 74.2 tttt 31.1 48.33 0.07 Allowed 'General case' 0 CA--C 1.532 0.266 0 O-C-N 123.305 0.378 . . . . 3.0800000000000001 111.323 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -75.1 -73.41 0.25 Allowed 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.538 -0.465 . . . . 1.3100000000000001 110.32 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -171.31 41.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.514 -0.474 . . . . 2.2000000000000002 110.375 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.516 HG22 ' HA ' ' A' ' 1' ' ' MET . 98.8 m -135.3 -68.01 0.53 Allowed 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.55 -0.46 . . . . 1.1499999999999999 110.183 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -107.47 -26.28 5.7 Favored Glycine 0 CA--C 1.528 0.883 0 C-N-CA 120.468 -0.873 . . . . 0.34000000000000002 111.555 -178.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.747 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 5.6 mmmm 62.62 102.94 0.03 OUTLIER 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 107.033 -1.469 . . . . 1.21 107.033 -176.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.517 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 22.5 mt-10 59.44 61.35 2.04 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 103.928 -2.619 . . . . 2.1800000000000002 103.928 -173.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.6 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 6.2 t80 -39.54 145.95 0.11 Allowed 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 113.69 -1.595 . . . . 0.93999999999999995 113.691 -174.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.437 ' N ' ' CD1' ' A' ' 48' ' ' TYR . 44.1 t -102.11 103.45 30.15 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 114.88 -1.054 . . . . 1.8200000000000001 109.422 178.167 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.573 ' CG ' HD22 ' A' ' 33' ' ' LEU . 57.0 Cg_endo -79.29 -64.33 0.02 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 123.316 2.678 . . . . 0.55000000000000004 113.177 -178.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -179.51 -50.09 0.08 OUTLIER Glycine 0 CA--C 1.523 0.567 0 N-CA-C 109.793 -1.323 . . . . 0.46999999999999997 109.793 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.495 ' HB2' HD11 ' A' ' 33' ' ' LEU . 60.1 mt -90.06 -76.12 0.43 Allowed 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.832 -0.803 . . . . 1.8400000000000001 108.832 178.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.431 ' O ' ' CB ' ' A' ' 54' ' ' HIS . 38.0 tt0 52.87 36.57 21.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.483 0.659 . . . . 1.47 109.342 178.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.442 ' N ' HG11 ' A' ' 30' ' ' VAL . 23.5 t-80 79.72 53.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.003 -0.999 . . . . 2.6400000000000001 109.687 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 65.1 t60 -79.69 137.94 37.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.827 -0.624 . . . . 5.0 109.923 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 . . . . . 0 C--N 1.324 -0.525 0 CA-C-O 118.032 -0.985 . . . . 6.0999999999999996 109.858 -179.821 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.565 ' HA ' HG21 ' A' ' 44' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.666 -0.494 . . . . 6.65 109.666 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.1 p -138.53 153.3 25.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.197 -0.456 . . . . 2.39 109.774 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.757 ' HB2' ' CG2' ' A' ' 6' ' ' ILE . 7.0 p90 -138.33 114.61 10.28 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.507 0.67 . . . . 0.68 109.459 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -69.28 -104.76 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.902 1.075 . . . . 1.73 113.902 -175.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -39.94 -43.91 1.6 Allowed 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.262 0.838 . . . . 2.33 113.262 -175.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.873 HD11 ' HG3' ' A' ' 50' ' ' PRO . 0.3 OUTLIER -57.49 -49.07 81.52 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.021 0 N-CA-C 109.586 -0.524 . . . . 0.21 109.586 -179.401 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.754 ' HB2' ' CE2' ' A' ' 3' ' ' TYR . . . -72.27 -44.4 62.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.242 0.544 . . . . 0.22 109.8 177.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.431 ' O ' ' HG2' ' A' ' 11' ' ' GLU . . . -36.68 -71.08 0.08 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.8 -1.091 . . . . 0.21 112.185 -178.072 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.628 ' OE1' ' HA ' ' A' ' 29' ' ' ALA . 3.8 pp0? -85.31 -16.66 39.31 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 118.711 -1.196 . . . . 1.04 110.476 -177.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.719 ' CA ' HD21 ' A' ' 33' ' ' LEU . . . -53.29 -53.81 32.8 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 109.223 -1.551 . . . . 0.18 109.223 177.149 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 8' ' ' ALA . 9.2 pt-20 -67.08 -28.68 68.39 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.284 -0.265 . . . . 2.43 110.284 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.594 ' CG2' ' HA ' ' A' ' 9' ' ' GLN . 55.6 t -50.72 -53.96 11.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.421 -0.585 . . . . 0.26 109.421 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.671 ' CG2' ' HA ' ' A' ' 26' ' ' VAL . 1.5 t -69.24 -40.19 80.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.201 -0.454 . . . . 0.69 110.951 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.407 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 8.8 mtm180 -54.01 -41.96 68.54 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.373 -0.603 . . . . 3.05 109.373 179.189 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -70.06 -40.02 75.33 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.555 -0.535 . . . . 1.59 109.555 178.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.458 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 3.5 mp -59.81 -58.07 10.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.398 -0.364 . . . . 1.13 110.722 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -58.67 -30.24 67.2 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.653 -0.419 . . . . 1.62 110.412 179.892 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.98 -48.32 66.12 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.562 -0.533 . . . . 0.36 109.562 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.474 ' O ' ' HB2' ' A' ' 20' ' ' LYS . 50.9 mt-10 -84.87 8.94 15.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.945 -0.57 . . . . 1.47 110.921 179.325 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 19' ' ' GLU . 86.3 mttt 75.02 100.67 0.07 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.503 0.668 . . . . 1.89 110.409 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.898 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -136.94 -179.4 1.06 Allowed Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 108.504 -0.924 . . . . 0.26 108.504 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.898 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 57.0 Cg_endo -76.78 144.82 24.99 Favored 'Trans proline' 0 N--CA 1.457 -0.676 0 C-N-CA 122.149 1.9 . . . . 0.33 112.248 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.478 ' O ' HG22 ' A' ' 27' ' ' THR . 56.7 mtmt -63.32 -34.61 78.06 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.923 -0.58 . . . . 2.64 110.073 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.67 -39.33 61.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.2 -0.454 . . . . 0.44 110.936 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.443 ' N ' ' CD ' ' A' ' 25' ' ' LYS . 7.0 mptt -79.37 -44.93 20.56 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.642 -0.423 . . . . 1.35 110.114 -179.048 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.671 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 29.7 t -53.38 -51.37 41.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 C-N-CA 120.754 -0.378 . . . . 0.24 110.42 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.506 ' HA ' ' HB ' ' A' ' 30' ' ' VAL . 9.0 t -65.94 -36.85 84.48 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.294 -0.562 . . . . 1.29 110.212 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -51.88 -48.21 64.17 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.601 -0.889 . . . . 2.39 108.601 178.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.628 ' HA ' ' OE1' ' A' ' 9' ' ' GLN . . . -64.98 -41.62 95.26 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.98 -0.555 . . . . 0.22 109.778 178.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.531 HG13 ' N ' ' A' ' 54' ' ' HIS . 1.1 t -47.65 -41.01 7.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.517 0.675 . . . . 0.57 109.184 179.145 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -67.2 -53.27 31.85 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.441 -0.799 . . . . 1.46 111.46 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.545 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 2.5 m -54.22 -28.73 42.94 Favored 'General case' 0 C--O 1.22 -0.465 0 N-CA-C 108.58 -0.896 . . . . 0.27 108.58 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.748 ' HA ' HD12 ' A' ' 6' ' ' ILE . 89.2 mt -67.37 -51.73 48.57 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.428 -0.509 . . . . 0.47 109.822 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.544 ' O ' ' HG2' ' A' ' 37' ' ' LYS . 6.0 tt -68.71 -41.87 78.5 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.275 0.56 . . . . 1.55 110.791 -179.636 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.5 m -69.26 -56.28 8.05 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.315 -0.402 . . . . 1.36 111.401 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.57 HD13 ' O ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -58.32 -46.11 86.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.513 -0.312 . . . . 1.48 110.676 -178.282 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.571 ' HB3' HD13 ' A' ' 6' ' ' ILE . 5.6 pttt -55.45 -41.26 72.62 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 119.951 -0.699 . . . . 1.02 109.904 -179.467 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.567 ' N ' ' HG3' ' A' ' 37' ' ' LYS . . . -59.24 -39.22 82.07 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.297 -0.631 . . . . 0.38 109.297 179.192 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -69.08 -40.75 78.25 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.864 -0.791 . . . . 2.16 108.864 178.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.609 ' CD2' ' HB2' ' A' ' 48' ' ' TYR . 45.7 t80 -53.47 -89.09 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.332 -0.849 . . . . 0.38 110.168 178.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.716 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 74.2 tttt 31.1 48.33 0.07 Allowed 'General case' 0 CA--C 1.532 0.266 0 O-C-N 123.305 0.378 . . . . 2.51 111.323 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -75.1 -73.41 0.25 Allowed 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.538 -0.465 . . . . 1.31 110.32 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -171.31 41.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.514 -0.474 . . . . 1.67 110.375 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.565 HG21 ' HA ' ' A' ' 1' ' ' MET . 98.8 m -135.3 -68.01 0.53 Allowed 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.55 -0.46 . . . . 0.48 110.183 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -107.47 -26.28 5.7 Favored Glycine 0 CA--C 1.528 0.883 0 C-N-CA 120.468 -0.873 . . . . 0.29 111.555 -178.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.716 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 5.6 mmmm 62.62 102.94 0.03 OUTLIER 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 107.033 -1.469 . . . . 0.53 107.033 -176.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.482 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 22.5 mt-10 59.44 61.35 2.04 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 103.928 -2.619 . . . . 2.18 103.928 -173.202 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.609 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 6.2 t80 -39.54 145.95 0.11 Allowed 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 113.69 -1.595 . . . . 0.26 113.691 -174.02 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.437 ' N ' ' CD1' ' A' ' 48' ' ' TYR . 44.1 t -102.11 103.45 30.15 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 114.88 -1.054 . . . . 1.21 109.422 178.167 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.873 ' HG3' HD11 ' A' ' 6' ' ' ILE . 57.0 Cg_endo -79.29 -64.33 0.02 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 123.316 2.678 . . . . 0.46 113.177 -178.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -179.51 -50.09 0.08 OUTLIER Glycine 0 CA--C 1.523 0.567 0 N-CA-C 109.793 -1.323 . . . . 0.46 109.793 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.528 ' HB2' HD12 ' A' ' 33' ' ' LEU . 60.1 mt -90.06 -76.12 0.43 Allowed 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.832 -0.803 . . . . 1.14 108.832 178.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.431 ' O ' ' CB ' ' A' ' 54' ' ' HIS . 38.0 tt0 52.87 36.57 21.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.483 0.659 . . . . 1.47 109.342 178.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.531 ' N ' HG13 ' A' ' 30' ' ' VAL . 23.5 t-80 79.72 53.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.003 -0.999 . . . . 2.11 109.687 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 65.1 t60 -79.69 137.94 37.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.827 -0.624 . . . . 4.31 109.923 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 . . . . . 0 C--N 1.324 -0.525 0 CA-C-O 118.032 -0.985 . . . . 5.46 109.858 -179.821 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.565 ' HA ' HG21 ' A' ' 44' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.666 -0.494 . . . . 6.65 109.666 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.1 p -138.53 153.3 25.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.197 -0.456 . . . . 2.39 109.774 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.757 ' HB2' ' CG2' ' A' ' 6' ' ' ILE . 7.0 p90 -138.33 114.61 10.28 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.507 0.67 . . . . 0.68 109.459 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -69.28 -104.76 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.902 1.075 . . . . 1.73 113.902 -175.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -39.94 -43.91 1.6 Allowed 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.262 0.838 . . . . 2.33 113.262 -175.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.873 HD11 ' HG3' ' A' ' 50' ' ' PRO . 0.3 OUTLIER -57.49 -49.07 81.52 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.021 0 N-CA-C 109.586 -0.524 . . . . 0.21 109.586 -179.401 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.754 ' HB2' ' CE2' ' A' ' 3' ' ' TYR . . . -72.27 -44.4 62.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.242 0.544 . . . . 0.22 109.8 177.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.431 ' O ' ' HG2' ' A' ' 11' ' ' GLU . . . -36.68 -71.08 0.08 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.8 -1.091 . . . . 0.21 112.185 -178.072 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.628 ' OE1' ' HA ' ' A' ' 29' ' ' ALA . 3.8 pp0? -85.31 -16.66 39.31 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 118.711 -1.196 . . . . 1.04 110.476 -177.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.719 ' CA ' HD21 ' A' ' 33' ' ' LEU . . . -53.29 -53.81 32.8 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 109.223 -1.551 . . . . 0.18 109.223 177.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 8' ' ' ALA . 9.2 pt-20 -67.08 -28.68 68.39 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.284 -0.265 . . . . 2.43 110.284 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.594 ' CG2' ' HA ' ' A' ' 9' ' ' GLN . 55.6 t -50.72 -53.96 11.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.421 -0.585 . . . . 0.26 109.421 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.671 ' CG2' ' HA ' ' A' ' 26' ' ' VAL . 1.5 t -69.24 -40.19 80.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.201 -0.454 . . . . 0.69 110.951 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.407 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 8.8 mtm180 -54.01 -41.96 68.54 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.373 -0.603 . . . . 3.05 109.373 179.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -70.06 -40.02 75.33 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.555 -0.535 . . . . 1.59 109.555 178.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.458 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 3.5 mp -59.81 -58.07 10.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.398 -0.364 . . . . 1.13 110.722 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -58.67 -30.24 67.2 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.653 -0.419 . . . . 1.62 110.412 179.892 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.98 -48.32 66.12 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.562 -0.533 . . . . 0.36 109.562 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.474 ' O ' ' HB2' ' A' ' 20' ' ' LYS . 50.9 mt-10 -84.87 8.94 15.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.945 -0.57 . . . . 1.47 110.921 179.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 19' ' ' GLU . 86.3 mttt 75.02 100.67 0.07 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.503 0.668 . . . . 1.89 110.409 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.898 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -136.94 -179.4 1.06 Allowed Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 108.504 -0.924 . . . . 0.26 108.504 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.898 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 57.0 Cg_endo -76.78 144.82 24.99 Favored 'Trans proline' 0 N--CA 1.457 -0.676 0 C-N-CA 122.149 1.9 . . . . 0.33 112.248 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.478 ' O ' HG22 ' A' ' 27' ' ' THR . 56.7 mtmt -63.32 -34.61 78.06 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.923 -0.58 . . . . 2.64 110.073 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.67 -39.33 61.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.2 -0.454 . . . . 0.44 110.936 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.443 ' N ' ' CD ' ' A' ' 25' ' ' LYS . 7.0 mptt -79.37 -44.93 20.56 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.642 -0.423 . . . . 1.35 110.114 -179.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.671 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 29.7 t -53.38 -51.37 41.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 C-N-CA 120.754 -0.378 . . . . 0.24 110.42 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.506 ' HA ' ' HB ' ' A' ' 30' ' ' VAL . 9.0 t -65.94 -36.85 84.48 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.294 -0.562 . . . . 1.29 110.212 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -51.88 -48.21 64.17 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.601 -0.889 . . . . 2.39 108.601 178.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.628 ' HA ' ' OE1' ' A' ' 9' ' ' GLN . . . -64.98 -41.62 95.26 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.98 -0.555 . . . . 0.22 109.778 178.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.531 HG13 ' N ' ' A' ' 54' ' ' HIS . 1.1 t -47.65 -41.01 7.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.517 0.675 . . . . 0.57 109.184 179.145 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -67.2 -53.27 31.85 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.441 -0.799 . . . . 1.46 111.46 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.545 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 2.5 m -54.22 -28.73 42.94 Favored 'General case' 0 C--O 1.22 -0.465 0 N-CA-C 108.58 -0.896 . . . . 0.27 108.58 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.748 ' HA ' HD12 ' A' ' 6' ' ' ILE . 89.2 mt -67.37 -51.73 48.57 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.428 -0.509 . . . . 0.47 109.822 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.544 ' O ' ' HG2' ' A' ' 37' ' ' LYS . 6.0 tt -68.71 -41.87 78.5 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.275 0.56 . . . . 1.55 110.791 -179.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.5 m -69.26 -56.28 8.05 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.315 -0.402 . . . . 1.36 111.401 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.57 HD13 ' O ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -58.32 -46.11 86.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.513 -0.312 . . . . 1.48 110.676 -178.282 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.571 ' HB3' HD13 ' A' ' 6' ' ' ILE . 5.6 pttt -55.45 -41.26 72.62 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 119.951 -0.699 . . . . 1.02 109.904 -179.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.567 ' N ' ' HG3' ' A' ' 37' ' ' LYS . . . -59.24 -39.22 82.07 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.297 -0.631 . . . . 0.38 109.297 179.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -69.08 -40.75 78.25 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.864 -0.791 . . . . 2.16 108.864 178.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.609 ' CD2' ' HB2' ' A' ' 48' ' ' TYR . 45.7 t80 -53.47 -89.09 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.332 -0.849 . . . . 0.38 110.168 178.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.716 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 74.2 tttt 31.1 48.33 0.07 Allowed 'General case' 0 CA--C 1.532 0.266 0 O-C-N 123.305 0.378 . . . . 2.51 111.323 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -75.1 -73.41 0.25 Allowed 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.538 -0.465 . . . . 1.31 110.32 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -171.31 41.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.514 -0.474 . . . . 1.67 110.375 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.565 HG21 ' HA ' ' A' ' 1' ' ' MET . 98.8 m -135.3 -68.01 0.53 Allowed 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.55 -0.46 . . . . 0.48 110.183 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -107.47 -26.28 5.7 Favored Glycine 0 CA--C 1.528 0.883 0 C-N-CA 120.468 -0.873 . . . . 0.29 111.555 -178.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.716 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 5.6 mmmm 62.62 102.94 0.03 OUTLIER 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 107.033 -1.469 . . . . 0.53 107.033 -176.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.482 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 22.5 mt-10 59.44 61.35 2.04 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 103.928 -2.619 . . . . 2.18 103.928 -173.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.609 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 6.2 t80 -39.54 145.95 0.11 Allowed 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 113.69 -1.595 . . . . 0.26 113.691 -174.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.437 ' N ' ' CD1' ' A' ' 48' ' ' TYR . 44.1 t -102.11 103.45 30.15 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 114.88 -1.054 . . . . 1.21 109.422 178.167 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.873 ' HG3' HD11 ' A' ' 6' ' ' ILE . 57.0 Cg_endo -79.29 -64.33 0.02 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 123.316 2.678 . . . . 0.46 113.177 -178.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -179.51 -50.09 0.08 OUTLIER Glycine 0 CA--C 1.523 0.567 0 N-CA-C 109.793 -1.323 . . . . 0.46 109.793 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.528 ' HB2' HD12 ' A' ' 33' ' ' LEU . 60.1 mt -90.06 -76.12 0.43 Allowed 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.832 -0.803 . . . . 1.14 108.832 178.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.431 ' O ' ' CB ' ' A' ' 54' ' ' HIS . 38.0 tt0 52.87 36.57 21.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.483 0.659 . . . . 1.47 109.342 178.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.531 ' N ' HG13 ' A' ' 30' ' ' VAL . 23.5 t-80 79.72 53.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.003 -0.999 . . . . 2.11 109.687 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 65.1 t60 -79.69 137.94 37.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.827 -0.624 . . . . 4.31 109.923 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 . . . . . 0 C--N 1.324 -0.525 0 CA-C-O 118.032 -0.985 . . . . 5.46 109.858 -179.821 . . . . . . . . 0 0 . 1 stop_ save_