data_1a1w_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 1a1w _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 . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.447 -0.575 . . . . 5.4500000000000002 109.447 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -175.61 82.45 0.3 Allowed Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 121.286 -0.884 . . . . 1.75 109.419 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -46.68 -41.5 24.36 Favored 'Trans proline' 0 C--N 1.308 -1.564 0 C-N-CA 123.058 2.505 . . . . 1.04 110.607 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.406 ' CZ ' HG23 ' A' ' 60' ' ' THR . 0.6 OUTLIER -64.71 -42.89 94.94 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.097 -1.002 . . . . 2.1299999999999999 109.976 -179.639 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.67 -45.74 73.92 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.11 -0.994 . . . . 1.8799999999999999 109.282 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.6 t -63.72 -33.07 59.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.246 -0.909 . . . . 1.3700000000000001 108.867 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.3 tp -66.46 -27.75 68.05 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.419 -0.8 . . . . 1.23 109.538 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.2 mt -80.01 -30.94 39.68 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.065 -1.022 . . . . 1.2 109.451 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 -70.77 -31.46 68.26 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.257 -0.902 . . . . 2.2200000000000002 109.404 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.6 m -79.79 -56.05 4.55 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.24 -0.912 . . . . 1.79 109.616 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.6 m -58.41 -23.99 23.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.265 -0.897 . . . . 1.8100000000000001 109.961 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.3 t -58.88 -41.32 86.85 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.04 -1.038 . . . . 1.3400000000000001 109.43 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.92 -25.69 64.7 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.234 -0.916 . . . . 1.6499999999999999 109.867 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.76 13.9 13.2 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.146 -0.971 . . . . 1.48 110.494 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.6 mt -104.76 -44.35 4.87 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.821 -1.174 . . . . 1.22 108.784 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.82 173.99 0.25 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.544 -0.723 . . . . 1.52 109.549 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.56 -15.7 61.44 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.357 -0.84 . . . . 1.76 110.017 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.34 -60.18 2.37 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.899 -1.126 . . . . 1.7 110.033 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -64.87 -34.18 77.77 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.981 -1.074 . . . . 1.8999999999999999 109.632 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.7 tp -66.2 -31.99 73.15 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.164 -0.96 . . . . 1.1499999999999999 109.332 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.8 m -72.84 -33.26 66.04 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.313 -0.867 . . . . 1.28 109.573 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -70.59 -64.7 0.85 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.231 -0.918 . . . . 1.1799999999999999 109.493 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.406 ' CD1' ' CD2' ' A' ' 67' ' ' LEU . 2.7 mp -54.2 -26.64 29.41 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.293 -0.88 . . . . 1.8799999999999999 109.762 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -69.23 -45.12 70.58 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.096 -1.003 . . . . 2.21 109.411 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.19 -51.96 67.75 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.265 -0.897 . . . . 2.48 109.509 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.71 -27.28 68.59 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.223 -0.923 . . . . 2.21 109.609 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.533 ' SG ' HG22 ' A' ' 31' ' ' VAL . 2.1 m -68.5 -32.49 72.5 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.16 -0.963 . . . . 1.2 109.449 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.8 mt -54.79 97.38 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.26 -0.9 . . . . 1.3300000000000001 109.451 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.37 -41.62 2.18 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.574 -1.41 . . . . 1.4099999999999999 109.574 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -73.39 -60.27 2.32 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.192 -1.181 . . . . 3.75 109.546 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.533 HG22 ' SG ' ' A' ' 27' ' ' CYS . 21.8 t -89.74 -37.12 9.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.277 -0.889 . . . . 1.22 109.474 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 140.22 170.73 12.12 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.603 -1.399 . . . . 0.46000000000000002 109.603 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -96.87 -36.71 10.5 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.25 -1.147 . . . . 3.1600000000000001 109.485 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.9 mtm180 -64.56 -30.56 71.59 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.249 -0.907 . . . . 4.1900000000000004 109.512 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.425 ' HG3' ' SD ' ' A' ' 48' ' ' MET . 6.1 mptt -64.26 -43.05 96.04 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.262 -0.899 . . . . 2.2799999999999998 109.515 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.3 mt -69.38 -32.53 71.62 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.287 -0.883 . . . . 1.1499999999999999 109.549 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -60.98 -31.9 71.48 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.248 -0.907 . . . . 2.21 109.542 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.81 -29.64 23.62 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.28 -0.888 . . . . 3.8100000000000001 109.556 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.05 163.27 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.192 -0.943 . . . . 1.49 109.641 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -156.0 -44.99 0.08 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.282 -0.886 . . . . 2.9500000000000002 109.365 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.0 t -115.94 -59.34 2.0 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.192 -0.942 . . . . 1.8799999999999999 109.499 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.36 -49.85 0.17 Allowed Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.561 -1.416 . . . . 0.93000000000000005 109.561 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.9 tp -56.79 -22.48 36.39 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.294 -1.121 . . . . 1.21 109.985 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.51 -52.06 55.46 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.002 -1.061 . . . . 1.47 109.589 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.98 -33.24 75.29 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.168 -0.957 . . . . 1.1299999999999999 109.44 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -73.14 -21.93 60.62 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.266 -0.896 . . . . 2.1699999999999999 109.994 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 36.4 t -79.94 -36.53 36.12 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.015 -1.053 . . . . 1.6499999999999999 109.544 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.425 ' SD ' ' HG3' ' A' ' 35' ' ' LYS . 4.3 mtm -71.22 -50.29 34.49 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.198 -0.939 . . . . 1.3200000000000001 109.341 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 29.6 mt -59.14 -43.95 92.04 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.263 -0.898 . . . . 1.28 109.369 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.2 tp -65.97 -28.28 68.78 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.243 -0.91 . . . . 2.1000000000000001 109.591 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -63.9 -47.31 81.12 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.155 -0.966 . . . . 1.95 109.405 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -171.58 97.68 0.18 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.258 -0.901 . . . . 2.52 109.478 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -176.96 -72.54 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.223 -0.923 . . . . 1.78 109.653 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -167.41 40.93 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.178 -0.951 . . . . 1.29 109.726 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.04 137.87 41.6 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.167 -0.958 . . . . 1.23 109.341 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -165.93 170.11 6.15 Favored Pre-proline 0 N--CA 1.489 1.521 0 O-C-N 121.184 -0.948 . . . . 1.7 109.391 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -47.98 -29.08 11.31 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 123.116 2.544 . . . . 0.89000000000000001 109.992 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -144.23 48.24 0.74 Allowed Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.484 -1.447 . . . . 0.60999999999999999 109.484 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -167.71 91.64 0.35 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.258 -1.143 . . . . 2.46 109.477 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.406 HG23 ' CZ ' ' A' ' 4' ' ' PHE . 7.3 p -139.56 44.83 1.95 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.257 -0.902 . . . . 1.2 109.424 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -69.16 -24.94 64.14 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.24 -0.913 . . . . 2.3199999999999998 110.003 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.5 tp -72.18 -58.27 3.56 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.059 -1.026 . . . . 1.47 109.988 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 13.7 tp -59.51 -56.6 19.93 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.152 -0.968 . . . . 1.23 109.886 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.98 -32.03 63.53 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.146 -0.971 . . . . 2.3999999999999999 109.781 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -60.72 -44.38 96.7 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.015 -1.053 . . . . 2.1800000000000002 108.879 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.3 mt -59.9 -42.02 92.9 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.288 -0.883 . . . . 1.8300000000000001 108.869 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.406 ' CD2' ' CD1' ' A' ' 23' ' ' LEU . 5.1 mt -61.88 -30.16 70.68 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.229 -0.919 . . . . 1.1499999999999999 109.035 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.61 -37.85 87.8 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.249 -0.907 . . . . 1.1000000000000001 108.588 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.9 t -67.85 -32.8 73.58 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.724 -0.843 . . . . 1.8300000000000001 108.724 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -73.24 -13.84 61.22 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.432 -0.792 . . . . 2.3900000000000001 110.234 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 68.81 38.94 2.02 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.174 -0.954 . . . . 3.48 109.413 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -86.17 -170.67 3.2 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.371 -0.831 . . . . 2.3500000000000001 109.203 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.38 -46.73 0.07 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.234 -0.916 . . . . 3.1600000000000001 109.491 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.41 -36.96 68.75 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.286 -0.884 . . . . 1.5800000000000001 109.563 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -73.26 -37.08 66.43 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.255 -0.903 . . . . 1.6100000000000001 109.717 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.1 mt -75.06 -23.83 58.13 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.267 -0.896 . . . . 1.3999999999999999 110.021 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.8 ttt180 -76.76 -44.87 31.25 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.073 -1.017 . . . . 3.7999999999999998 109.911 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.0 mtt85 -68.08 -55.18 13.44 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.19 -0.944 . . . . 3.21 109.673 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 74.1 t -55.54 -53.13 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.236 -0.915 . . . . 1.2 109.692 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -58.64 -27.21 64.52 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.308 -0.87 . . . . 1.4299999999999999 109.927 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.7 -60.79 2.86 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.071 -1.018 . . . . 1.8200000000000001 109.654 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -60.98 -23.87 65.69 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.28 -0.888 . . . . 2.46 110.122 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.005 -1.06 . . . . 1.51 109.765 -179.949 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.447 -0.575 . . . . 5.18 109.447 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -175.61 82.45 0.3 Allowed Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 121.286 -0.884 . . . . 1.32 109.419 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -46.68 -41.5 24.36 Favored 'Trans proline' 0 C--N 1.308 -1.564 0 C-N-CA 123.058 2.505 . . . . 0.73 110.607 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.731 ' CZ ' HG21 ' A' ' 60' ' ' THR . 0.6 OUTLIER -64.71 -42.89 94.94 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.097 -1.002 . . . . 1.25 109.976 -179.639 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.67 -45.74 73.92 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.11 -0.994 . . . . 1.22 109.282 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.6 t -63.72 -33.07 59.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.246 -0.909 . . . . 0.55 108.867 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.718 ' O ' HG22 ' A' ' 11' ' ' VAL . 7.3 tp -66.46 -27.75 68.05 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.419 -0.8 . . . . 0.48 109.538 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.951 HD13 ' HB3' ' A' ' 46' ' ' PHE . 80.2 mt -80.01 -30.94 39.68 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.065 -1.022 . . . . 0.46 109.451 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 -70.77 -31.46 68.26 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.257 -0.902 . . . . 1.53 109.404 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.6 m -79.79 -56.05 4.55 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.24 -0.912 . . . . 1.35 109.616 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.718 HG22 ' O ' ' A' ' 7' ' ' LEU . 34.6 m -58.41 -23.99 23.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.265 -0.897 . . . . 1.11 109.961 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.747 ' HA ' HD12 ' A' ' 15' ' ' LEU . 30.3 t -58.88 -41.32 86.85 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.04 -1.038 . . . . 0.91 109.43 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.92 -25.69 64.7 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.234 -0.916 . . . . 1.22 109.867 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.76 13.9 13.2 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.146 -0.971 . . . . 1.1 110.494 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.747 HD12 ' HA ' ' A' ' 12' ' ' SER . 5.6 mt -104.76 -44.35 4.87 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.821 -1.174 . . . . 0.46 108.784 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.82 173.99 0.25 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.544 -0.723 . . . . 1.1 109.549 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.56 -15.7 61.44 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.357 -0.84 . . . . 1.32 110.017 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.34 -60.18 2.37 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.899 -1.126 . . . . 1.28 110.033 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.625 ' CB ' HD23 ' A' ' 15' ' ' LEU . 45.5 mm-40 -64.87 -34.18 77.77 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.981 -1.074 . . . . 1.9 109.632 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.689 HD22 ' O ' ' A' ' 41' ' ' SER . 34.7 tp -66.2 -31.99 73.15 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.164 -0.96 . . . . 0.47 109.332 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.8 m -72.84 -33.26 66.04 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.313 -0.867 . . . . 0.61 109.573 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.701 ' CG ' HD11 ' A' ' 70' ' ' LEU . 49.7 mm-40 -70.59 -64.7 0.85 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.231 -0.918 . . . . 1.18 109.493 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.788 HD11 ' CD2' ' A' ' 67' ' ' LEU . 2.7 mp -54.2 -26.64 29.41 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.293 -0.88 . . . . 1.28 109.762 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.825 ' HG3' HD22 ' A' ' 36' ' ' LEU . 20.7 tttt -69.23 -45.12 70.58 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.096 -1.003 . . . . 1.7 109.411 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.443 ' HA ' HD12 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -59.19 -51.96 67.75 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.265 -0.897 . . . . 1.64 109.509 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.71 -27.28 68.59 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.223 -0.923 . . . . 1.61 109.609 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.1 m -68.5 -32.49 72.5 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.16 -0.963 . . . . 0.68 109.449 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.448 HD23 ' HG3' ' A' ' 33' ' ' LYS . 6.8 mt -54.79 97.38 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.26 -0.9 . . . . 1.32 109.451 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.37 -41.62 2.18 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.574 -1.41 . . . . 0.71 109.574 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -73.39 -60.27 2.32 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.192 -1.181 . . . . 3.09 109.546 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.8 t -89.74 -37.12 9.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.277 -0.889 . . . . 0.66 109.474 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 140.22 170.73 12.12 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.603 -1.399 . . . . 0.45 109.603 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.448 ' HG3' HD23 ' A' ' 28' ' ' LEU . 5.3 tttt -96.87 -36.71 10.5 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.25 -1.147 . . . . 2.66 109.485 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.9 mtm180 -64.56 -30.56 71.59 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.249 -0.907 . . . . 3.68 109.512 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.445 ' HG3' ' SD ' ' A' ' 48' ' ' MET . 6.1 mptt -64.26 -43.05 96.04 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.262 -0.899 . . . . 1.76 109.515 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.825 HD22 ' HG3' ' A' ' 24' ' ' LYS . 94.3 mt -69.38 -32.53 71.62 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.287 -0.883 . . . . 0.42 109.549 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -60.98 -31.9 71.48 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.248 -0.907 . . . . 2.21 109.542 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.81 -29.64 23.62 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.28 -0.888 . . . . 3.2 109.556 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.45 HG12 ' O ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -57.05 163.27 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.192 -0.943 . . . . 0.92 109.641 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -156.0 -44.99 0.08 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.282 -0.886 . . . . 2.43 109.365 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.689 ' O ' HD22 ' A' ' 20' ' ' LEU . 46.0 t -115.94 -59.34 2.0 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.192 -0.942 . . . . 1.52 109.499 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.36 -49.85 0.17 Allowed Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.561 -1.416 . . . . 0.42 109.561 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.9 tp -56.79 -22.48 36.39 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.294 -1.121 . . . . 0.46 109.985 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.51 -52.06 55.46 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.002 -1.061 . . . . 1.47 109.589 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.98 -33.24 75.29 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.168 -0.957 . . . . 0.35 109.44 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.951 ' HB3' HD13 ' A' ' 8' ' ' LEU . 7.2 m-85 -73.14 -21.93 60.62 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.266 -0.896 . . . . 1.26 109.994 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 36.4 t -79.94 -36.53 36.12 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.015 -1.053 . . . . 1.18 109.544 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.445 ' SD ' ' HG3' ' A' ' 35' ' ' LYS . 4.3 mtm -71.22 -50.29 34.49 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.198 -0.939 . . . . 1.07 109.341 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.5 ' HB3' HD12 ' A' ' 55' ' ' LEU . 29.6 mt -59.14 -43.95 92.04 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.263 -0.898 . . . . 0.5 109.369 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.452 HD12 ' O ' ' A' ' 55' ' ' LEU . 24.2 tp -65.97 -28.28 68.78 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.243 -0.91 . . . . 1.46 109.591 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -63.9 -47.31 81.12 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.155 -0.966 . . . . 1.95 109.405 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -171.58 97.68 0.18 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.258 -0.901 . . . . 1.99 109.478 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -176.96 -72.54 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.223 -0.923 . . . . 1.71 109.653 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -167.41 40.93 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.178 -0.951 . . . . 1.29 109.726 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.5 HD12 ' HB3' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -136.04 137.87 41.6 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.167 -0.958 . . . . 0.75 109.341 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -165.93 170.11 6.15 Favored Pre-proline 0 N--CA 1.489 1.521 0 O-C-N 121.184 -0.948 . . . . 1.7 109.391 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -47.98 -29.08 11.31 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 123.116 2.544 . . . . 0.89 109.992 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -144.23 48.24 0.74 Allowed Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.484 -1.447 . . . . 0.54 109.484 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -167.71 91.64 0.35 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.258 -1.143 . . . . 1.77 109.477 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.731 HG21 ' CZ ' ' A' ' 4' ' ' PHE . 7.3 p -139.56 44.83 1.95 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.257 -0.902 . . . . 0.5 109.424 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -69.16 -24.94 64.14 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.24 -0.913 . . . . 2.32 110.003 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.5 tp -72.18 -58.27 3.56 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.059 -1.026 . . . . 0.78 109.988 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.52 ' HA ' HD12 ' A' ' 66' ' ' LEU . 13.7 tp -59.51 -56.6 19.93 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.152 -0.968 . . . . 0.49 109.886 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.513 ' O ' HD21 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -55.98 -32.03 63.53 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.146 -0.971 . . . . 1.99 109.781 -179.722 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -60.72 -44.38 96.7 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.015 -1.053 . . . . 2.18 108.879 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 63' ' ' LEU . 8.3 mt -59.9 -42.02 92.9 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.288 -0.883 . . . . 1.29 108.869 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.788 ' CD2' HD11 ' A' ' 23' ' ' LEU . 5.1 mt -61.88 -30.16 70.68 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.229 -0.919 . . . . 0.46 109.035 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.61 -37.85 87.8 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.249 -0.907 . . . . 0.38 108.588 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.9 t -67.85 -32.8 73.58 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.724 -0.843 . . . . 1.39 108.724 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.701 HD11 ' CG ' ' A' ' 22' ' ' GLU . 2.0 mm? -73.24 -13.84 61.22 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.432 -0.792 . . . . 1.79 110.234 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 68.81 38.94 2.02 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.174 -0.954 . . . . 2.89 109.413 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -86.17 -170.67 3.2 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.371 -0.831 . . . . 1.82 109.203 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.38 -46.73 0.07 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.234 -0.916 . . . . 2.95 109.491 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.41 -36.96 68.75 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.286 -0.884 . . . . 1.58 109.563 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.592 ' HB3' HD13 ' A' ' 67' ' ' LEU . 2.7 mm? -73.26 -37.08 66.43 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.255 -0.903 . . . . 1.0 109.717 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.513 HD21 ' O ' ' A' ' 64' ' ' ARG . 12.1 mt -75.06 -23.83 58.13 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.267 -0.896 . . . . 0.69 110.021 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.8 ttt180 -76.76 -44.87 31.25 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.073 -1.017 . . . . 3.13 109.911 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.0 mtt85 -68.08 -55.18 13.44 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.19 -0.944 . . . . 2.57 109.673 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.528 ' HA ' HD21 ' A' ' 7' ' ' LEU . 74.1 t -55.54 -53.13 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.236 -0.915 . . . . 0.47 109.692 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -58.64 -27.21 64.52 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.308 -0.87 . . . . 1.43 109.927 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.7 -60.79 2.86 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.071 -1.018 . . . . 1.82 109.654 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.658 ' HB2' HD22 ' A' ' 7' ' ' LEU . 3.1 m-85 -60.98 -23.87 65.69 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.28 -0.888 . . . . 1.56 110.122 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.005 -1.06 . . . . 1.51 109.765 -179.949 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.447 -0.575 . . . . 5.18 109.447 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -175.61 82.45 0.3 Allowed Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 121.286 -0.884 . . . . 1.32 109.419 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -46.68 -41.5 24.36 Favored 'Trans proline' 0 C--N 1.308 -1.564 0 C-N-CA 123.058 2.505 . . . . 0.73 110.607 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.731 ' CZ ' HG21 ' A' ' 60' ' ' THR . 0.6 OUTLIER -64.71 -42.89 94.94 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.097 -1.002 . . . . 1.25 109.976 -179.639 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.67 -45.74 73.92 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.11 -0.994 . . . . 1.22 109.282 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.6 t -63.72 -33.07 59.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.246 -0.909 . . . . 0.55 108.867 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.718 ' O ' HG22 ' A' ' 11' ' ' VAL . 7.3 tp -66.46 -27.75 68.05 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.419 -0.8 . . . . 0.48 109.538 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.951 HD13 ' HB3' ' A' ' 46' ' ' PHE . 80.2 mt -80.01 -30.94 39.68 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.065 -1.022 . . . . 0.46 109.451 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 -70.77 -31.46 68.26 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.257 -0.902 . . . . 1.53 109.404 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.6 m -79.79 -56.05 4.55 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.24 -0.912 . . . . 1.35 109.616 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.718 HG22 ' O ' ' A' ' 7' ' ' LEU . 34.6 m -58.41 -23.99 23.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.265 -0.897 . . . . 1.11 109.961 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.747 ' HA ' HD12 ' A' ' 15' ' ' LEU . 30.3 t -58.88 -41.32 86.85 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.04 -1.038 . . . . 0.91 109.43 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.92 -25.69 64.7 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.234 -0.916 . . . . 1.22 109.867 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.76 13.9 13.2 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.146 -0.971 . . . . 1.1 110.494 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.747 HD12 ' HA ' ' A' ' 12' ' ' SER . 5.6 mt -104.76 -44.35 4.87 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.821 -1.174 . . . . 0.46 108.784 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.82 173.99 0.25 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.544 -0.723 . . . . 1.1 109.549 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.56 -15.7 61.44 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.357 -0.84 . . . . 1.32 110.017 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.34 -60.18 2.37 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.899 -1.126 . . . . 1.28 110.033 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.625 ' CB ' HD23 ' A' ' 15' ' ' LEU . 45.5 mm-40 -64.87 -34.18 77.77 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.981 -1.074 . . . . 1.9 109.632 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.689 HD22 ' O ' ' A' ' 41' ' ' SER . 34.7 tp -66.2 -31.99 73.15 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.164 -0.96 . . . . 0.47 109.332 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.8 m -72.84 -33.26 66.04 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.313 -0.867 . . . . 0.61 109.573 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.701 ' CG ' HD11 ' A' ' 70' ' ' LEU . 49.7 mm-40 -70.59 -64.7 0.85 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.231 -0.918 . . . . 1.18 109.493 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.788 HD11 ' CD2' ' A' ' 67' ' ' LEU . 2.7 mp -54.2 -26.64 29.41 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.293 -0.88 . . . . 1.28 109.762 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.825 ' HG3' HD22 ' A' ' 36' ' ' LEU . 20.7 tttt -69.23 -45.12 70.58 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.096 -1.003 . . . . 1.7 109.411 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.443 ' HA ' HD12 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -59.19 -51.96 67.75 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.265 -0.897 . . . . 1.64 109.509 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.71 -27.28 68.59 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.223 -0.923 . . . . 1.61 109.609 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.1 m -68.5 -32.49 72.5 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.16 -0.963 . . . . 0.68 109.449 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.448 HD23 ' HG3' ' A' ' 33' ' ' LYS . 6.8 mt -54.79 97.38 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.26 -0.9 . . . . 1.32 109.451 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.37 -41.62 2.18 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.574 -1.41 . . . . 0.71 109.574 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -73.39 -60.27 2.32 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.192 -1.181 . . . . 3.09 109.546 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.8 t -89.74 -37.12 9.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.277 -0.889 . . . . 0.66 109.474 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 140.22 170.73 12.12 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.603 -1.399 . . . . 0.45 109.603 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.448 ' HG3' HD23 ' A' ' 28' ' ' LEU . 5.3 tttt -96.87 -36.71 10.5 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.25 -1.147 . . . . 2.66 109.485 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.9 mtm180 -64.56 -30.56 71.59 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.249 -0.907 . . . . 3.68 109.512 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.445 ' HG3' ' SD ' ' A' ' 48' ' ' MET . 6.1 mptt -64.26 -43.05 96.04 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.262 -0.899 . . . . 1.76 109.515 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.825 HD22 ' HG3' ' A' ' 24' ' ' LYS . 94.3 mt -69.38 -32.53 71.62 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.287 -0.883 . . . . 0.42 109.549 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -60.98 -31.9 71.48 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.248 -0.907 . . . . 2.21 109.542 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.81 -29.64 23.62 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.28 -0.888 . . . . 3.2 109.556 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.45 HG12 ' O ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -57.05 163.27 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.192 -0.943 . . . . 0.92 109.641 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -156.0 -44.99 0.08 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.282 -0.886 . . . . 2.43 109.365 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.689 ' O ' HD22 ' A' ' 20' ' ' LEU . 46.0 t -115.94 -59.34 2.0 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.192 -0.942 . . . . 1.52 109.499 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.36 -49.85 0.17 Allowed Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.561 -1.416 . . . . 0.42 109.561 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.9 tp -56.79 -22.48 36.39 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.294 -1.121 . . . . 0.46 109.985 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.51 -52.06 55.46 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.002 -1.061 . . . . 1.47 109.589 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.98 -33.24 75.29 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.168 -0.957 . . . . 0.35 109.44 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.951 ' HB3' HD13 ' A' ' 8' ' ' LEU . 7.2 m-85 -73.14 -21.93 60.62 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.266 -0.896 . . . . 1.26 109.994 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 36.4 t -79.94 -36.53 36.12 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.015 -1.053 . . . . 1.18 109.544 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.445 ' SD ' ' HG3' ' A' ' 35' ' ' LYS . 4.3 mtm -71.22 -50.29 34.49 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.198 -0.939 . . . . 1.07 109.341 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.5 ' HB3' HD12 ' A' ' 55' ' ' LEU . 29.6 mt -59.14 -43.95 92.04 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.263 -0.898 . . . . 0.5 109.369 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.452 HD12 ' O ' ' A' ' 55' ' ' LEU . 24.2 tp -65.97 -28.28 68.78 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.243 -0.91 . . . . 1.46 109.591 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -63.9 -47.31 81.12 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.155 -0.966 . . . . 1.95 109.405 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -171.58 97.68 0.18 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.258 -0.901 . . . . 1.99 109.478 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -176.96 -72.54 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.223 -0.923 . . . . 1.71 109.653 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -167.41 40.93 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.178 -0.951 . . . . 1.29 109.726 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.5 HD12 ' HB3' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -136.04 137.87 41.6 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.167 -0.958 . . . . 0.75 109.341 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -165.93 170.11 6.15 Favored Pre-proline 0 N--CA 1.489 1.521 0 O-C-N 121.184 -0.948 . . . . 1.7 109.391 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -47.98 -29.08 11.31 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 123.116 2.544 . . . . 0.89 109.992 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -144.23 48.24 0.74 Allowed Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.484 -1.447 . . . . 0.54 109.484 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -167.71 91.64 0.35 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.258 -1.143 . . . . 1.77 109.477 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.731 HG21 ' CZ ' ' A' ' 4' ' ' PHE . 7.3 p -139.56 44.83 1.95 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.257 -0.902 . . . . 0.5 109.424 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -69.16 -24.94 64.14 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.24 -0.913 . . . . 2.32 110.003 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.5 tp -72.18 -58.27 3.56 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.059 -1.026 . . . . 0.78 109.988 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.52 ' HA ' HD12 ' A' ' 66' ' ' LEU . 13.7 tp -59.51 -56.6 19.93 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.152 -0.968 . . . . 0.49 109.886 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.513 ' O ' HD21 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -55.98 -32.03 63.53 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.146 -0.971 . . . . 1.99 109.781 -179.722 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -60.72 -44.38 96.7 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.015 -1.053 . . . . 2.18 108.879 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 63' ' ' LEU . 8.3 mt -59.9 -42.02 92.9 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.288 -0.883 . . . . 1.29 108.869 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.788 ' CD2' HD11 ' A' ' 23' ' ' LEU . 5.1 mt -61.88 -30.16 70.68 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.229 -0.919 . . . . 0.46 109.035 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.61 -37.85 87.8 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.249 -0.907 . . . . 0.38 108.588 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.9 t -67.85 -32.8 73.58 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.724 -0.843 . . . . 1.39 108.724 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.701 HD11 ' CG ' ' A' ' 22' ' ' GLU . 2.0 mm? -73.24 -13.84 61.22 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.432 -0.792 . . . . 1.79 110.234 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 68.81 38.94 2.02 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.174 -0.954 . . . . 2.89 109.413 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -86.17 -170.67 3.2 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.371 -0.831 . . . . 1.82 109.203 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.38 -46.73 0.07 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.234 -0.916 . . . . 2.95 109.491 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.41 -36.96 68.75 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.286 -0.884 . . . . 1.58 109.563 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.592 ' HB3' HD13 ' A' ' 67' ' ' LEU . 2.7 mm? -73.26 -37.08 66.43 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.255 -0.903 . . . . 1.0 109.717 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.513 HD21 ' O ' ' A' ' 64' ' ' ARG . 12.1 mt -75.06 -23.83 58.13 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.267 -0.896 . . . . 0.69 110.021 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.8 ttt180 -76.76 -44.87 31.25 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.073 -1.017 . . . . 3.13 109.911 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.0 mtt85 -68.08 -55.18 13.44 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.19 -0.944 . . . . 2.57 109.673 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.528 ' HA ' HD21 ' A' ' 7' ' ' LEU . 74.1 t -55.54 -53.13 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.236 -0.915 . . . . 0.47 109.692 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -58.64 -27.21 64.52 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.308 -0.87 . . . . 1.43 109.927 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.7 -60.79 2.86 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.071 -1.018 . . . . 1.82 109.654 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.658 ' HB2' HD22 ' A' ' 7' ' ' LEU . 3.1 m-85 -60.98 -23.87 65.69 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.28 -0.888 . . . . 1.56 110.122 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.005 -1.06 . . . . 1.51 109.765 -179.949 . . . . . . . . 0 0 . 1 stop_ save_