data_1trs_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 1trs _Structure_validation_residue.Date_analyzed 2016-10-07 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 . . . . . . . . . . . . . 14.7 mmm . . . . . 0 N--CA 1.494 1.75 0 N-CA-C 109.32 -0.622 . . . . 3.4399999999999999 109.32 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 40.4 t -144.58 155.54 14.68 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.426 -0.796 . . . . 1.05 108.941 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.7 tttt -150.33 117.41 5.96 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.063 -1.023 . . . . 2.3199999999999998 109.722 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -80.73 122.81 27.6 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.554 -0.716 . . . . 1.4399999999999999 109.526 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.3 mm -88.25 111.55 22.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 N-CA-C 108.255 -1.017 . . . . 1.0700000000000001 108.255 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -89.94 -16.36 30.09 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.254 -0.904 . . . . 1.96 110.393 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.5 p -159.85 162.95 34.76 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.823 -1.173 . . . . 0.85999999999999999 110.452 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.456 ' N ' ' OD2' ' A' ' 64' ' ' ASP . 18.1 tttm -53.57 -28.16 30.35 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.676 -0.64 . . . . 2.52 109.697 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.5 m -59.07 -57.08 14.65 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.236 -0.915 . . . . 1.1100000000000001 109.835 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.34 -22.96 66.5 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.309 -0.869 . . . . 1.03 109.991 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -61.73 -55.28 31.93 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.981 -1.074 . . . . 0.39000000000000001 110.218 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -63.92 -49.51 72.34 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.113 -0.992 . . . . 2.5899999999999999 110.358 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -59.51 -29.87 68.18 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.108 -0.995 . . . . 2.1699999999999999 109.995 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.24 -38.96 75.31 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.055 -1.028 . . . . 1.0600000000000001 109.762 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.6 mt -68.96 -42.8 76.13 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.103 -0.998 . . . . 1.1100000000000001 109.276 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -69.0 -34.73 75.76 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.241 -0.912 . . . . 1.1699999999999999 109.557 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.87 -31.6 69.51 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.288 -0.883 . . . . 1.1299999999999999 109.583 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.407 ' C ' ' H1 ' ' A' ' 204' ' ' HOH . . . -61.15 -37.68 83.74 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.15 -0.969 . . . . 1.0800000000000001 109.027 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.41 -113.19 3.72 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 110.224 -1.15 . . . . 0.31 110.224 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.65 4.25 14.07 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.532 -0.981 . . . . 2.2400000000000002 109.486 -179.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 72.5 mttt -75.59 159.54 31.1 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.981 -1.075 . . . . 2.1000000000000001 109.478 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.03 158.01 14.41 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.357 -0.839 . . . . 1.0600000000000001 108.832 -179.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.6 t -147.68 94.05 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.176 -0.953 . . . . 1.04 109.368 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.0 t -97.14 118.39 43.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.144 -0.973 . . . . 1.04 109.204 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.0 t -96.09 133.48 37.17 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.251 -0.906 . . . . 1.04 109.441 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.52 ' OD1' ' CE2' ' A' ' 77' ' ' PHE . 13.3 t0 -108.82 113.11 25.76 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.585 -0.697 . . . . 1.0700000000000001 109.181 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -98.89 105.13 17.23 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.384 -0.823 . . . . 0.22 108.882 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -142.89 169.14 18.12 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.34 -0.85 . . . . 1.0800000000000001 109.457 -179.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.35 99.1 10.81 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.356 -0.84 . . . . 1.04 108.904 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.7 t -55.47 -27.54 48.91 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.967 -1.083 . . . . 1.1000000000000001 109.061 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.526 ' NE1' ' OD1' ' A' ' 60' ' ' ASP . 66.9 p-90 -76.22 -30.52 57.99 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.258 -0.901 . . . . 0.34000000000000002 109.395 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.592 ' SG ' ' N ' ' A' ' 33' ' ' GLY . 1.6 t -64.61 166.45 8.62 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.273 -0.892 . . . . 0.20999999999999999 108.985 179.59 159.652 -159.517 72.292 104.301 2.022 104.268 85.77 -38.548 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.592 ' N ' ' SG ' ' A' ' 32' ' ' CYS . . . -102.51 -70.26 0.85 Allowed Glycine 0 N--CA 1.499 2.895 0 N-CA-C 110.268 -1.133 . . . . 0.25 110.268 -179.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -52.87 -22.08 17.09 Favored 'Trans proline' 0 C--N 1.317 -1.107 0 C-N-CA 121.507 1.471 . . . . 0.33000000000000002 110.023 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.6 m -81.29 -51.43 8.39 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.204 -0.935 . . . . 0.20000000000000001 108.771 179.753 -38.548 85.77 72.292 104.268 2.022 104.301 -159.517 159.652 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.5 tttm -66.03 -8.25 22.0 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 109.223 -0.658 . . . . 2.2400000000000002 109.223 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 10.9 ttt -71.13 -16.42 62.55 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.24 -0.912 . . . . 2.6899999999999999 109.968 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.3 mt -96.11 26.63 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 O-C-N 121.092 -1.005 . . . . 1.0700000000000001 109.998 -179.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.676 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 0.1 OUTLIER -89.5 -24.9 0.29 Allowed Pre-proline 0 N--CA 1.496 1.829 0 O-C-N 120.669 -1.269 . . . . 1.26 112.322 179.242 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.676 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 5.1 Cg_endo -73.05 3.71 4.31 Favored 'Trans proline' 0 C--O 1.216 -0.608 0 N-CA-C 109.151 -1.134 . . . . 0.33000000000000002 109.151 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -114.53 -69.11 0.88 Allowed 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.661 -0.649 . . . . 0.42999999999999999 109.362 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -60.35 -62.99 1.46 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.324 -0.86 . . . . 0.17000000000000001 109.983 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.544 ' CD2' ' O ' ' A' ' 43' ' ' HIS . 26.2 t60 -66.12 -3.27 5.24 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.389 -0.82 . . . . 0.39000000000000001 110.063 -179.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 t -88.45 -26.9 21.86 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.872 -1.143 . . . . 0.97999999999999998 110.066 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.5 mt -60.82 -11.63 8.31 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.96 -1.087 . . . . 1.1100000000000001 109.648 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.8 m -57.12 -37.06 71.43 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.109 -0.994 . . . . 0.91000000000000003 109.551 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -89.11 -23.44 22.49 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.151 -0.968 . . . . 2.1000000000000001 110.413 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -84.92 -54.06 4.91 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.926 -1.109 . . . . 2.6899999999999999 109.721 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -107.66 85.02 2.05 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.406 -0.809 . . . . 1.0 108.879 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 56.4 p -70.37 -5.46 28.39 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.43 -0.794 . . . . 0.92000000000000004 110.233 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -100.57 30.76 3.77 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.223 -0.923 . . . . 0.77000000000000002 109.896 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.725 ' H ' ' H2 ' ' A' ' 207' ' ' HOH . 97.5 t -132.92 139.83 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 121.311 -0.868 . . . . 1.04 109.434 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.6 mm -97.65 117.25 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.085 -1.009 . . . . 1.0600000000000001 108.981 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.527 ' CZ ' ' CG1' ' A' ' 52' ' ' VAL . 86.3 m-85 -110.84 129.02 55.98 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.442 -0.786 . . . . 0.19 109.733 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.8 mp -109.39 136.56 48.62 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.384 -0.823 . . . . 1.04 108.89 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 62.4 tt0 -113.39 106.88 15.12 Favored 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 108.727 -0.842 . . . . 1.22 108.727 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.8 t -105.4 131.64 54.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.508 -0.745 . . . . 1.04 109.676 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.538 ' C ' ' H ' ' A' ' 60' ' ' ASP . 23.7 t0 -97.4 114.61 26.46 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 108.68 -0.859 . . . . 1.1399999999999999 108.68 179.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.4 m -63.23 7.97 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.092 -1.005 . . . . 1.04 110.739 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.538 ' H ' ' C ' ' A' ' 58' ' ' ASP . 1.1 m-20 -116.99 -37.72 3.53 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.202 -0.936 . . . . 1.1000000000000001 109.355 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -87.0 -40.16 15.0 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.159 -0.963 . . . . 1.1299999999999999 108.868 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -106.93 48.79 0.82 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.551 -0.718 . . . . 1.02 109.115 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -11.62 1.68 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.255 -0.903 . . . . 2.73 109.035 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.456 ' OD2' ' N ' ' A' ' 8' ' ' LYS . 3.3 p-10 -73.27 -40.24 64.75 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.104 -0.998 . . . . 1.1000000000000001 108.785 179.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 47.5 t -76.01 -33.29 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.429 -0.794 . . . . 1.0700000000000001 109.433 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.78 -37.43 84.57 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.276 -0.89 . . . . 1.1000000000000001 109.347 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.6 t -69.46 -50.28 46.98 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.239 -0.913 . . . . 1.9299999999999999 109.576 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -63.44 -38.86 92.76 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.221 -0.924 . . . . 2.2799999999999998 109.639 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.82 -5.9 48.13 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.131 -0.981 . . . . 1.0700000000000001 109.89 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 53.84 47.45 23.56 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.318 -0.864 . . . . 2.3199999999999998 109.882 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 69.8 t -86.48 104.03 13.48 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 120.93 -1.106 . . . . 1.1899999999999999 108.739 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -114.2 10.76 17.35 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.5 -0.75 . . . . 3.0600000000000001 109.841 -179.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.453 ' O ' ' OG1' ' A' ' 76' ' ' THR . . . -150.47 92.41 1.85 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.912 -1.118 . . . . 1.0700000000000001 109.453 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.4 p -93.05 153.66 41.77 Favored Pre-proline 0 N--CA 1.494 1.762 0 N-CA-C 108.57 -0.9 . . . . 1.03 108.57 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -76.76 150.41 92.65 Favored 'Cis proline' 0 N--CA 1.485 1.015 0 C-N-CA 124.952 -0.853 . . . . 0.13 110.769 -1.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 73' ' ' ALA . 25.7 m -137.34 126.81 25.01 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.442 -0.787 . . . . 1.0700000000000001 108.979 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.52 ' CE2' ' OD1' ' A' ' 26' ' ' ASP . 97.3 m-85 -109.04 127.68 54.32 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.456 -0.778 . . . . 0.20999999999999999 109.325 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -116.7 145.24 43.59 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.565 -0.709 . . . . 1.8999999999999999 109.206 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -109.16 110.71 22.01 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.638 -0.664 . . . . 0.28000000000000003 109.64 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -110.51 156.61 20.63 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.427 -0.796 . . . . 0.31 109.328 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.572 ' C ' ' H ' ' A' ' 83' ' ' GLY . 28.2 tttm -154.6 134.68 13.1 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 107.985 -1.117 . . . . 2.2000000000000002 107.985 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 89.7 mttt 54.52 4.31 0.06 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.281 -0.887 . . . . 2.4500000000000002 109.095 -178.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.572 ' H ' ' C ' ' A' ' 81' ' ' LYS . . . 97.48 27.37 9.22 Favored Glycine 0 N--CA 1.495 2.619 0 N-CA-C 109.155 -1.578 . . . . 0.25 109.155 -179.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -132.42 128.12 36.83 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.483 -1.01 . . . . 1.3500000000000001 109.562 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -67.75 112.77 5.02 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.173 -0.954 . . . . 2.3999999999999999 108.865 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 3.2 m -112.75 17.72 7.72 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 121.575 -0.703 . . . . 1.1799999999999999 110.047 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 161.96 155.08 7.79 Favored Glycine 0 N--CA 1.492 2.41 0 C-N-CA 119.447 -1.359 . . . . 0.47999999999999998 110.111 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -171.2 155.97 4.54 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.336 -1.097 . . . . 2.29 109.477 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.47 ' CD1' ' C ' ' A' ' 89' ' ' PHE . 4.9 p90 -167.04 133.45 2.28 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.266 -0.896 . . . . 0.14000000000000001 109.178 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 20.8 p -104.86 134.87 47.27 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.468 -0.77 . . . . 0.92000000000000004 109.84 -179.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 154.42 147.82 4.79 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.748 -1.341 . . . . 0.16 109.748 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.43 54.33 2.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.37 -1.077 . . . . 1.0600000000000001 109.573 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -105.53 84.22 2.06 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.36 -0.838 . . . . 1.6200000000000001 108.901 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -33.12 72.47 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.426 -0.797 . . . . 1.8100000000000001 110.342 -179.131 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -69.09 -25.59 64.5 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.149 -0.97 . . . . 2.1400000000000001 110.06 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -68.33 -37.35 80.46 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.142 -0.974 . . . . 2.27 109.57 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 49.9 mt -50.67 -36.59 36.44 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.175 -0.953 . . . . 1.0600000000000001 109.249 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -67.12 -62.06 1.62 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.176 -0.952 . . . . 1.79 110.047 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -54.06 -38.61 65.43 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.187 -0.946 . . . . 1.0800000000000001 109.955 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.2 m -71.25 -49.03 47.34 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.148 -0.97 . . . . 1.0700000000000001 109.901 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 43.7 mt -56.8 -41.74 76.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.051 -1.03 . . . . 1.05 109.201 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -72.33 -2.37 18.91 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.224 -0.923 . . . . 1.1399999999999999 109.148 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -81.41 -55.61 4.59 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.428 -0.795 . . . . 1.98 109.883 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 24.5 mt -97.75 17.43 18.0 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.267 -0.895 . . . . 1.27 110.058 -179.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.4 p . . . . . 0 N--CA 1.492 1.64 0 O-C-N 121.061 -1.025 . . . . 1.0800000000000001 108.815 179.514 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 203' ' ' HOH . . . . . 0.416 ' O ' ' N ' ' A' ' 60' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 204' ' ' HOH . . . . . 0.407 ' H1 ' ' C ' ' A' ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 207' ' ' HOH . . . . . 0.725 ' H2 ' ' H ' ' A' ' 52' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 mmm . . . . . 0 N--CA 1.494 1.75 0 N-CA-C 109.32 -0.622 . . . . 2.8999999999999999 109.32 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 40.4 t -144.58 155.54 14.68 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.426 -0.796 . . . . 0.20999999999999999 108.941 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.7 tttt -150.33 117.41 5.96 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.063 -1.023 . . . . 1.76 109.722 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -80.73 122.81 27.6 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.554 -0.716 . . . . 0.89000000000000001 109.526 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.3 mm -88.25 111.55 22.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 N-CA-C 108.255 -1.017 . . . . 0.20000000000000001 108.255 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -89.94 -16.36 30.09 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.254 -0.904 . . . . 1.96 110.393 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.5 p -159.85 162.95 34.76 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.823 -1.173 . . . . 0.25 110.452 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.456 ' N ' ' OD2' ' A' ' 64' ' ' ASP . 18.1 tttm -53.57 -28.16 30.35 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.676 -0.64 . . . . 1.98 109.697 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.5 m -59.07 -57.08 14.65 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.236 -0.915 . . . . 0.35999999999999999 109.835 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.34 -22.96 66.5 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.309 -0.869 . . . . 0.20000000000000001 109.991 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -61.73 -55.28 31.93 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.981 -1.074 . . . . 0.34000000000000002 110.218 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -63.92 -49.51 72.34 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.113 -0.992 . . . . 2.1899999999999999 110.358 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -59.51 -29.87 68.18 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.108 -0.995 . . . . 2.1699999999999999 109.995 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.24 -38.96 75.31 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.055 -1.028 . . . . 0.25 109.762 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.6 mt -68.96 -42.8 76.13 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.103 -0.998 . . . . 0.29999999999999999 109.276 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -69.0 -34.73 75.76 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.241 -0.912 . . . . 1.1699999999999999 109.557 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.87 -31.6 69.51 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.288 -0.883 . . . . 0.29999999999999999 109.583 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.15 -37.68 83.74 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.15 -0.969 . . . . 0.27000000000000002 109.027 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.41 -113.19 3.72 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 110.224 -1.15 . . . . 0.31 110.224 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.65 4.25 14.07 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.532 -0.981 . . . . 2.2400000000000002 109.486 -179.343 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 72.5 mttt -75.59 159.54 31.1 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.981 -1.075 . . . . 1.47 109.478 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.543 HD23 ' H ' ' A' ' 23' ' ' VAL . 0.5 OUTLIER -61.03 158.01 14.41 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.357 -0.839 . . . . 0.23999999999999999 108.832 -179.211 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.543 ' H ' HD23 ' A' ' 22' ' ' LEU . 21.6 t -147.68 94.05 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.176 -0.953 . . . . 0.16 109.368 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.0 t -97.14 118.39 43.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.144 -0.973 . . . . 0.10000000000000001 109.204 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.0 t -96.09 133.48 37.17 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.251 -0.906 . . . . 0.13 109.441 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.52 ' OD1' ' CE2' ' A' ' 77' ' ' PHE . 13.3 t0 -108.82 113.11 25.76 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.585 -0.697 . . . . 1.0700000000000001 109.181 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -98.89 105.13 17.23 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.384 -0.823 . . . . 0.17000000000000001 108.882 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -142.89 169.14 18.12 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.34 -0.85 . . . . 1.0800000000000001 109.457 -179.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.833 ' HB1' ' NE1' ' A' ' 31' ' ' TRP . . . -96.35 99.1 10.81 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.356 -0.84 . . . . 0.19 108.904 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.421 HG22 ' OD1' ' A' ' 58' ' ' ASP . 6.7 t -55.47 -27.54 48.91 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.967 -1.083 . . . . 0.29999999999999999 109.061 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.833 ' NE1' ' HB1' ' A' ' 29' ' ' ALA . 66.9 p-90 -76.22 -30.52 57.99 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.258 -0.901 . . . . 0.31 109.395 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.592 ' SG ' ' N ' ' A' ' 33' ' ' GLY . 1.6 t -64.61 166.45 8.62 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.273 -0.892 . . . . 0.20000000000000001 108.985 179.59 159.652 -159.517 72.292 104.301 2.022 104.268 85.77 -38.548 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.592 ' N ' ' SG ' ' A' ' 32' ' ' CYS . . . -102.51 -70.26 0.85 Allowed Glycine 0 N--CA 1.499 2.895 0 N-CA-C 110.268 -1.133 . . . . 0.22 110.268 -179.317 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.485 ' HD2' ' H ' ' A' ' 33' ' ' GLY . 4.6 Cg_exo -52.87 -22.08 17.09 Favored 'Trans proline' 0 C--N 1.317 -1.107 0 C-N-CA 121.507 1.471 . . . . 0.28999999999999998 110.023 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.6 m -81.29 -51.43 8.39 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.204 -0.935 . . . . 0.20000000000000001 108.771 179.753 -38.548 85.77 72.292 104.268 2.022 104.301 -159.517 159.652 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.5 tttm -66.03 -8.25 22.0 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 109.223 -0.658 . . . . 1.6799999999999999 109.223 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 10.9 ttt -71.13 -16.42 62.55 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.24 -0.912 . . . . 2.1499999999999999 109.968 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.412 HD13 HG21 ' A' ' 38' ' ' ILE . 5.3 mt -96.11 26.63 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 O-C-N 121.092 -1.005 . . . . 0.28000000000000003 109.998 -179.303 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.676 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 0.1 OUTLIER -89.5 -24.9 0.29 Allowed Pre-proline 0 N--CA 1.496 1.829 0 O-C-N 120.669 -1.269 . . . . 0.63 112.322 179.242 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.676 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 5.1 Cg_endo -73.05 3.71 4.31 Favored 'Trans proline' 0 C--O 1.216 -0.608 0 N-CA-C 109.151 -1.134 . . . . 0.28000000000000003 109.151 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -114.53 -69.11 0.88 Allowed 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.661 -0.649 . . . . 0.34999999999999998 109.362 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -60.35 -62.99 1.46 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.324 -0.86 . . . . 0.14000000000000001 109.983 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.436 ' O ' ' CG ' ' A' ' 43' ' ' HIS . 14.1 t-80 -66.12 -3.27 5.24 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.389 -0.82 . . . . 0.33000000000000002 110.063 -179.208 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 t -88.45 -26.9 21.86 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.872 -1.143 . . . . 0.56000000000000005 110.066 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.5 mt -60.82 -11.63 8.31 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.96 -1.087 . . . . 0.37 109.648 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.8 m -57.12 -37.06 71.43 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.109 -0.994 . . . . 0.27000000000000002 109.551 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -89.11 -23.44 22.49 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.151 -0.968 . . . . 2.1000000000000001 110.413 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -84.92 -54.06 4.91 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.926 -1.109 . . . . 2.1800000000000002 109.721 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -107.66 85.02 2.05 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.406 -0.809 . . . . 0.37 108.879 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 56.4 p -70.37 -5.46 28.39 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.43 -0.794 . . . . 0.25 110.233 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -100.57 30.76 3.77 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.223 -0.923 . . . . 0.47999999999999998 109.896 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.527 ' CG1' ' CZ ' ' A' ' 54' ' ' PHE . 97.5 t -132.92 139.83 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 121.311 -0.868 . . . . 0.16 109.434 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.6 mm -97.65 117.25 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.085 -1.009 . . . . 0.20000000000000001 108.981 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.527 ' CZ ' ' CG1' ' A' ' 52' ' ' VAL . 86.3 m-85 -110.84 129.02 55.98 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.442 -0.786 . . . . 0.16 109.733 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.475 HD12 ' C ' ' A' ' 54' ' ' PHE . 10.8 mp -109.39 136.56 48.62 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.384 -0.823 . . . . 0.14999999999999999 108.89 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 62.4 tt0 -113.39 106.88 15.12 Favored 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 108.727 -0.842 . . . . 1.22 108.727 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.8 t -105.4 131.64 54.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.508 -0.745 . . . . 0.16 109.676 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.502 ' C ' ' H ' ' A' ' 60' ' ' ASP . 23.7 t0 -97.4 114.61 26.46 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 108.68 -0.859 . . . . 1.1399999999999999 108.68 179.36 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.4 m -63.23 7.97 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.092 -1.005 . . . . 0.17000000000000001 110.739 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.526 ' OD1' ' NE1' ' A' ' 31' ' ' TRP . 1.1 m-20 -116.99 -37.72 3.53 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.202 -0.936 . . . . 1.1000000000000001 109.355 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -87.0 -40.16 15.0 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.159 -0.963 . . . . 1.1299999999999999 108.868 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -106.93 48.79 0.82 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.551 -0.718 . . . . 0.16 109.115 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -11.62 1.68 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.255 -0.903 . . . . 2.25 109.035 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.456 ' OD2' ' N ' ' A' ' 8' ' ' LYS . 3.3 p-10 -73.27 -40.24 64.75 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.104 -0.998 . . . . 1.1000000000000001 108.785 179.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 47.5 t -76.01 -33.29 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.429 -0.794 . . . . 0.22 109.433 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.78 -37.43 84.57 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.276 -0.89 . . . . 0.26000000000000001 109.347 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.6 t -69.46 -50.28 46.98 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.239 -0.913 . . . . 1.4399999999999999 109.576 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -63.44 -38.86 92.76 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.221 -0.924 . . . . 2.2799999999999998 109.639 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.82 -5.9 48.13 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.131 -0.981 . . . . 0.34000000000000002 109.89 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 53.84 47.45 23.56 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.318 -0.864 . . . . 2.3199999999999998 109.882 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 69.8 t -86.48 104.03 13.48 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 120.93 -1.106 . . . . 0.55000000000000004 108.739 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -114.2 10.76 17.35 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.5 -0.75 . . . . 2.5800000000000001 109.841 -179.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.453 ' O ' ' OG1' ' A' ' 76' ' ' THR . . . -150.47 92.41 1.85 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.912 -1.118 . . . . 0.22 109.453 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.4 p -93.05 153.66 41.77 Favored Pre-proline 0 N--CA 1.494 1.762 0 N-CA-C 108.57 -0.9 . . . . 0.16 108.57 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -76.76 150.41 92.65 Favored 'Cis proline' 0 N--CA 1.485 1.015 0 C-N-CA 124.952 -0.853 . . . . 0.11 110.769 -1.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 73' ' ' ALA . 25.7 m -137.34 126.81 25.01 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.442 -0.787 . . . . 0.23000000000000001 108.979 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.52 ' CE2' ' OD1' ' A' ' 26' ' ' ASP . 97.3 m-85 -109.04 127.68 54.32 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.456 -0.778 . . . . 0.20999999999999999 109.325 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -116.7 145.24 43.59 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.565 -0.709 . . . . 1.1000000000000001 109.206 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -109.16 110.71 22.01 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.638 -0.664 . . . . 0.28000000000000003 109.64 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -110.51 156.61 20.63 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.427 -0.796 . . . . 0.23999999999999999 109.328 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.524 ' C ' ' H ' ' A' ' 83' ' ' GLY . 28.2 tttm -154.6 134.68 13.1 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 107.985 -1.117 . . . . 1.6699999999999999 107.985 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 89.7 mttt 54.52 4.31 0.06 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.281 -0.887 . . . . 1.95 109.095 -178.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.524 ' H ' ' C ' ' A' ' 81' ' ' LYS . . . 97.48 27.37 9.22 Favored Glycine 0 N--CA 1.495 2.619 0 N-CA-C 109.155 -1.578 . . . . 0.25 109.155 -179.132 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -132.42 128.12 36.83 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.483 -1.01 . . . . 1.28 109.562 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -67.75 112.77 5.02 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.173 -0.954 . . . . 1.8899999999999999 108.865 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 3.2 m -112.75 17.72 7.72 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 121.575 -0.703 . . . . 0.62 110.047 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 161.96 155.08 7.79 Favored Glycine 0 N--CA 1.492 2.41 0 C-N-CA 119.447 -1.359 . . . . 0.20999999999999999 110.111 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -171.2 155.97 4.54 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.336 -1.097 . . . . 2.29 109.477 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.47 ' CD1' ' C ' ' A' ' 89' ' ' PHE . 4.9 p90 -167.04 133.45 2.28 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.266 -0.896 . . . . 0.12 109.178 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 20.8 p -104.86 134.87 47.27 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.468 -0.77 . . . . 0.19 109.84 -179.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 154.42 147.82 4.79 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.748 -1.341 . . . . 0.14999999999999999 109.748 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.43 54.33 2.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.37 -1.077 . . . . 0.22 109.573 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -105.53 84.22 2.06 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.36 -0.838 . . . . 0.95999999999999996 108.901 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.485 ' HD2' ' H ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -60.77 -33.12 72.47 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.426 -0.797 . . . . 1.1499999999999999 110.342 -179.131 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -69.09 -25.59 64.5 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.149 -0.97 . . . . 2.1400000000000001 110.06 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -68.33 -37.35 80.46 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.142 -0.974 . . . . 1.76 109.57 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 49.9 mt -50.67 -36.59 36.44 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.175 -0.953 . . . . 0.17000000000000001 109.249 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -67.12 -62.06 1.62 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.176 -0.952 . . . . 1.79 110.047 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -54.06 -38.61 65.43 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.187 -0.946 . . . . 0.26000000000000001 109.955 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.2 m -71.25 -49.03 47.34 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.148 -0.97 . . . . 0.27000000000000002 109.901 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 43.7 mt -56.8 -41.74 76.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.051 -1.03 . . . . 0.20000000000000001 109.201 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -72.33 -2.37 18.91 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.224 -0.923 . . . . 0.72999999999999998 109.148 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -81.41 -55.61 4.59 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.428 -0.795 . . . . 1.98 109.883 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 24.5 mt -97.75 17.43 18.0 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.267 -0.895 . . . . 0.60999999999999999 110.058 -179.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.4 p . . . . . 0 N--CA 1.492 1.64 0 O-C-N 121.061 -1.025 . . . . 1.0800000000000001 108.815 179.514 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 203' ' ' HOH . . . . . 0.416 ' O ' ' N ' ' A' ' 60' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 mmm . . . . . 0 N--CA 1.494 1.75 0 N-CA-C 109.32 -0.622 . . . . 2.8999999999999999 109.32 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 40.4 t -144.58 155.54 14.68 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.426 -0.796 . . . . 0.20999999999999999 108.941 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.7 tttt -150.33 117.41 5.96 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.063 -1.023 . . . . 1.76 109.722 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -80.73 122.81 27.6 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.554 -0.716 . . . . 0.89000000000000001 109.526 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.3 mm -88.25 111.55 22.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 N-CA-C 108.255 -1.017 . . . . 0.20000000000000001 108.255 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -89.94 -16.36 30.09 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.254 -0.904 . . . . 1.96 110.393 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.5 p -159.85 162.95 34.76 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.823 -1.173 . . . . 0.25 110.452 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.456 ' N ' ' OD2' ' A' ' 64' ' ' ASP . 18.1 tttm -53.57 -28.16 30.35 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.676 -0.64 . . . . 1.98 109.697 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.5 m -59.07 -57.08 14.65 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.236 -0.915 . . . . 0.35999999999999999 109.835 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.34 -22.96 66.5 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.309 -0.869 . . . . 0.20000000000000001 109.991 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -61.73 -55.28 31.93 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.981 -1.074 . . . . 0.34000000000000002 110.218 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -63.92 -49.51 72.34 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.113 -0.992 . . . . 2.1899999999999999 110.358 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -59.51 -29.87 68.18 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.108 -0.995 . . . . 2.1699999999999999 109.995 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.24 -38.96 75.31 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.055 -1.028 . . . . 0.25 109.762 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.6 mt -68.96 -42.8 76.13 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.103 -0.998 . . . . 0.29999999999999999 109.276 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -69.0 -34.73 75.76 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.241 -0.912 . . . . 1.1699999999999999 109.557 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.87 -31.6 69.51 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.288 -0.883 . . . . 0.29999999999999999 109.583 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.15 -37.68 83.74 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.15 -0.969 . . . . 0.27000000000000002 109.027 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.41 -113.19 3.72 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 110.224 -1.15 . . . . 0.31 110.224 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.65 4.25 14.07 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.532 -0.981 . . . . 2.2400000000000002 109.486 -179.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 72.5 mttt -75.59 159.54 31.1 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.981 -1.075 . . . . 1.47 109.478 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.543 HD23 ' H ' ' A' ' 23' ' ' VAL . 0.5 OUTLIER -61.03 158.01 14.41 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.357 -0.839 . . . . 0.23999999999999999 108.832 -179.211 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.543 ' H ' HD23 ' A' ' 22' ' ' LEU . 21.6 t -147.68 94.05 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.176 -0.953 . . . . 0.16 109.368 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.0 t -97.14 118.39 43.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.144 -0.973 . . . . 0.10000000000000001 109.204 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.0 t -96.09 133.48 37.17 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.251 -0.906 . . . . 0.13 109.441 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.52 ' OD1' ' CE2' ' A' ' 77' ' ' PHE . 13.3 t0 -108.82 113.11 25.76 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.585 -0.697 . . . . 1.0700000000000001 109.181 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -98.89 105.13 17.23 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.384 -0.823 . . . . 0.17000000000000001 108.882 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -142.89 169.14 18.12 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.34 -0.85 . . . . 1.0800000000000001 109.457 -179.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.833 ' HB1' ' NE1' ' A' ' 31' ' ' TRP . . . -96.35 99.1 10.81 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.356 -0.84 . . . . 0.19 108.904 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.421 HG22 ' OD1' ' A' ' 58' ' ' ASP . 6.7 t -55.47 -27.54 48.91 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.967 -1.083 . . . . 0.29999999999999999 109.061 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.833 ' NE1' ' HB1' ' A' ' 29' ' ' ALA . 66.9 p-90 -76.22 -30.52 57.99 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.258 -0.901 . . . . 0.31 109.395 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.592 ' SG ' ' N ' ' A' ' 33' ' ' GLY . 1.6 t -64.61 166.45 8.62 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.273 -0.892 . . . . 0.20000000000000001 108.985 179.59 159.652 -159.517 72.292 104.301 2.022 104.268 85.77 -38.548 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.592 ' N ' ' SG ' ' A' ' 32' ' ' CYS . . . -102.51 -70.26 0.85 Allowed Glycine 0 N--CA 1.499 2.895 0 N-CA-C 110.268 -1.133 . . . . 0.22 110.268 -179.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.485 ' HD2' ' H ' ' A' ' 33' ' ' GLY . 4.6 Cg_exo -52.87 -22.08 17.09 Favored 'Trans proline' 0 C--N 1.317 -1.107 0 C-N-CA 121.507 1.471 . . . . 0.28999999999999998 110.023 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.6 m -81.29 -51.43 8.39 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.204 -0.935 . . . . 0.20000000000000001 108.771 179.753 -38.548 85.77 72.292 104.268 2.022 104.301 -159.517 159.652 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.5 tttm -66.03 -8.25 22.0 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 109.223 -0.658 . . . . 1.6799999999999999 109.223 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 10.9 ttt -71.13 -16.42 62.55 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.24 -0.912 . . . . 2.1499999999999999 109.968 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.412 HD13 HG21 ' A' ' 38' ' ' ILE . 5.3 mt -96.11 26.63 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 O-C-N 121.092 -1.005 . . . . 0.28000000000000003 109.998 -179.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.676 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 0.1 OUTLIER -89.5 -24.9 0.29 Allowed Pre-proline 0 N--CA 1.496 1.829 0 O-C-N 120.669 -1.269 . . . . 0.63 112.322 179.242 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.676 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 5.1 Cg_endo -73.05 3.71 4.31 Favored 'Trans proline' 0 C--O 1.216 -0.608 0 N-CA-C 109.151 -1.134 . . . . 0.28000000000000003 109.151 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -114.53 -69.11 0.88 Allowed 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.661 -0.649 . . . . 0.34999999999999998 109.362 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -60.35 -62.99 1.46 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.324 -0.86 . . . . 0.14000000000000001 109.983 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.544 ' CD2' ' O ' ' A' ' 43' ' ' HIS . 26.2 t60 -66.12 -3.27 5.24 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.389 -0.82 . . . . 0.33000000000000002 110.063 -179.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 t -88.45 -26.9 21.86 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.872 -1.143 . . . . 0.56000000000000005 110.066 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.5 mt -60.82 -11.63 8.31 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.96 -1.087 . . . . 0.37 109.648 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.8 m -57.12 -37.06 71.43 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.109 -0.994 . . . . 0.27000000000000002 109.551 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -89.11 -23.44 22.49 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.151 -0.968 . . . . 2.1000000000000001 110.413 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -84.92 -54.06 4.91 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.926 -1.109 . . . . 2.1800000000000002 109.721 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -107.66 85.02 2.05 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.406 -0.809 . . . . 0.37 108.879 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 56.4 p -70.37 -5.46 28.39 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.43 -0.794 . . . . 0.25 110.233 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -100.57 30.76 3.77 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.223 -0.923 . . . . 0.47999999999999998 109.896 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.527 ' CG1' ' CZ ' ' A' ' 54' ' ' PHE . 97.5 t -132.92 139.83 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 121.311 -0.868 . . . . 0.16 109.434 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.6 mm -97.65 117.25 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.085 -1.009 . . . . 0.20000000000000001 108.981 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.527 ' CZ ' ' CG1' ' A' ' 52' ' ' VAL . 86.3 m-85 -110.84 129.02 55.98 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.442 -0.786 . . . . 0.16 109.733 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.475 HD12 ' C ' ' A' ' 54' ' ' PHE . 10.8 mp -109.39 136.56 48.62 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.384 -0.823 . . . . 0.14999999999999999 108.89 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 62.4 tt0 -113.39 106.88 15.12 Favored 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 108.727 -0.842 . . . . 1.22 108.727 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.8 t -105.4 131.64 54.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.508 -0.745 . . . . 0.16 109.676 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.502 ' C ' ' H ' ' A' ' 60' ' ' ASP . 23.7 t0 -97.4 114.61 26.46 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 108.68 -0.859 . . . . 1.1399999999999999 108.68 179.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.4 m -63.23 7.97 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.092 -1.005 . . . . 0.17000000000000001 110.739 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.526 ' OD1' ' NE1' ' A' ' 31' ' ' TRP . 1.1 m-20 -116.99 -37.72 3.53 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.202 -0.936 . . . . 1.1000000000000001 109.355 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -87.0 -40.16 15.0 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.159 -0.963 . . . . 1.1299999999999999 108.868 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -106.93 48.79 0.82 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.551 -0.718 . . . . 0.16 109.115 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -11.62 1.68 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.255 -0.903 . . . . 2.25 109.035 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.456 ' OD2' ' N ' ' A' ' 8' ' ' LYS . 3.3 p-10 -73.27 -40.24 64.75 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.104 -0.998 . . . . 1.1000000000000001 108.785 179.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 47.5 t -76.01 -33.29 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.429 -0.794 . . . . 0.22 109.433 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.78 -37.43 84.57 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.276 -0.89 . . . . 0.26000000000000001 109.347 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.6 t -69.46 -50.28 46.98 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.239 -0.913 . . . . 1.4399999999999999 109.576 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -63.44 -38.86 92.76 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.221 -0.924 . . . . 2.2799999999999998 109.639 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.82 -5.9 48.13 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.131 -0.981 . . . . 0.34000000000000002 109.89 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 53.84 47.45 23.56 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.318 -0.864 . . . . 2.3199999999999998 109.882 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 69.8 t -86.48 104.03 13.48 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 120.93 -1.106 . . . . 0.55000000000000004 108.739 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -114.2 10.76 17.35 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.5 -0.75 . . . . 2.5800000000000001 109.841 -179.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.453 ' O ' ' OG1' ' A' ' 76' ' ' THR . . . -150.47 92.41 1.85 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.912 -1.118 . . . . 0.22 109.453 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.4 p -93.05 153.66 41.77 Favored Pre-proline 0 N--CA 1.494 1.762 0 N-CA-C 108.57 -0.9 . . . . 0.16 108.57 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -76.76 150.41 92.65 Favored 'Cis proline' 0 N--CA 1.485 1.015 0 C-N-CA 124.952 -0.853 . . . . 0.11 110.769 -1.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 73' ' ' ALA . 25.7 m -137.34 126.81 25.01 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.442 -0.787 . . . . 0.23000000000000001 108.979 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.52 ' CE2' ' OD1' ' A' ' 26' ' ' ASP . 97.3 m-85 -109.04 127.68 54.32 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.456 -0.778 . . . . 0.20999999999999999 109.325 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -116.7 145.24 43.59 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.565 -0.709 . . . . 1.1000000000000001 109.206 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -109.16 110.71 22.01 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.638 -0.664 . . . . 0.28000000000000003 109.64 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -110.51 156.61 20.63 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.427 -0.796 . . . . 0.23999999999999999 109.328 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.524 ' C ' ' H ' ' A' ' 83' ' ' GLY . 28.2 tttm -154.6 134.68 13.1 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 107.985 -1.117 . . . . 1.6699999999999999 107.985 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 89.7 mttt 54.52 4.31 0.06 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.281 -0.887 . . . . 1.95 109.095 -178.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.524 ' H ' ' C ' ' A' ' 81' ' ' LYS . . . 97.48 27.37 9.22 Favored Glycine 0 N--CA 1.495 2.619 0 N-CA-C 109.155 -1.578 . . . . 0.25 109.155 -179.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -132.42 128.12 36.83 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.483 -1.01 . . . . 1.28 109.562 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -67.75 112.77 5.02 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.173 -0.954 . . . . 1.8899999999999999 108.865 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 3.2 m -112.75 17.72 7.72 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 121.575 -0.703 . . . . 0.62 110.047 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 161.96 155.08 7.79 Favored Glycine 0 N--CA 1.492 2.41 0 C-N-CA 119.447 -1.359 . . . . 0.20999999999999999 110.111 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -171.2 155.97 4.54 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.336 -1.097 . . . . 2.29 109.477 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.47 ' CD1' ' C ' ' A' ' 89' ' ' PHE . 4.9 p90 -167.04 133.45 2.28 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.266 -0.896 . . . . 0.12 109.178 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 20.8 p -104.86 134.87 47.27 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.468 -0.77 . . . . 0.19 109.84 -179.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 154.42 147.82 4.79 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.748 -1.341 . . . . 0.14999999999999999 109.748 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.43 54.33 2.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.37 -1.077 . . . . 0.22 109.573 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -105.53 84.22 2.06 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.36 -0.838 . . . . 0.95999999999999996 108.901 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.485 ' HD2' ' H ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -60.77 -33.12 72.47 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.426 -0.797 . . . . 1.1499999999999999 110.342 -179.131 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -69.09 -25.59 64.5 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.149 -0.97 . . . . 2.1400000000000001 110.06 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -68.33 -37.35 80.46 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.142 -0.974 . . . . 1.76 109.57 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 49.9 mt -50.67 -36.59 36.44 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.175 -0.953 . . . . 0.17000000000000001 109.249 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -67.12 -62.06 1.62 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.176 -0.952 . . . . 1.79 110.047 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -54.06 -38.61 65.43 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.187 -0.946 . . . . 0.26000000000000001 109.955 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.2 m -71.25 -49.03 47.34 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.148 -0.97 . . . . 0.27000000000000002 109.901 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 43.7 mt -56.8 -41.74 76.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.051 -1.03 . . . . 0.20000000000000001 109.201 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -72.33 -2.37 18.91 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.224 -0.923 . . . . 0.72999999999999998 109.148 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -81.41 -55.61 4.59 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.428 -0.795 . . . . 1.98 109.883 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 24.5 mt -97.75 17.43 18.0 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.267 -0.895 . . . . 0.60999999999999999 110.058 -179.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.4 p . . . . . 0 N--CA 1.492 1.64 0 O-C-N 121.061 -1.025 . . . . 1.0800000000000001 108.815 179.514 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 203' ' ' HOH . . . . . 0.416 ' O ' ' N ' ' A' ' 60' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_