data_1g2s_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 1g2s _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' ' ' THR . . . . . . . . . . . . . 17.8 m . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.298 0.57 . . . . 17.050000000000001 110.185 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.28 44.59 2.83 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.256 -0.903 . . . . 16.5 110.16 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -123.61 -99.85 1.4 Allowed Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.542 -1.423 . . . . 11.960000000000001 109.542 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.0 t -123.11 88.0 2.85 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.297 -1.119 . . . . 10.42 110.274 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -65.78 -16.76 64.09 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.243 -0.911 . . . . 8.1199999999999992 110.433 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 56.4 mt -93.14 39.42 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.077 -1.014 . . . . 8.0899999999999999 110.128 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.415 ' OG ' ' NZ ' ' A' ' 48' ' ' LYS . 0.6 OUTLIER -95.84 41.24 1.1 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.196 -0.94 . . . . 4.9699999999999998 110.384 -179.881 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.73 62.94 1.1 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.185 -0.947 . . . . 6.5099999999999998 110.069 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.9 t -102.54 149.98 23.86 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.258 -0.901 . . . . 2.9900000000000002 110.266 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 63.7 m -79.34 -177.91 5.97 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.237 -0.914 . . . . 0.96999999999999997 110.112 -179.994 -57.184 -56.935 -78.135 104.358 2.021 104.219 -68.555 -65.596 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.5 m -132.07 -176.9 4.22 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.182 -0.948 . . . . 0.83999999999999997 110.172 179.817 -81.931 -83.919 -58.828 104.276 2.021 104.316 -100.483 -69.014 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -160.11 -64.05 0.07 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.232 -0.918 . . . . 4.3499999999999996 110.092 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -77.17 145.64 37.56 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.219 -0.925 . . . . 3.4399999999999999 109.993 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.462 ' CE2' ' NE2' ' A' ' 52' ' ' HIS . 26.7 m-85 -128.66 119.6 24.99 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.2 -0.938 . . . . 1.21 110.283 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.81 140.99 38.11 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.259 -0.901 . . . . 2.0099999999999998 110.323 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -114.77 74.83 0.9 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.265 -0.897 . . . . 4.1600000000000001 110.131 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.08 148.44 3.66 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.252 -0.905 . . . . 3.48 110.219 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -73.55 109.99 2.97 Favored 'Trans proline' 0 C--N 1.312 -1.362 0 O-C-N 123.73 1.384 . . . . 0.75 110.449 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.441 ' CD2' ' HD2' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -69.82 149.1 96.63 Favored Pre-proline 0 N--CA 1.49 1.558 0 O-C-N 121.274 -0.891 . . . . 1.6100000000000001 109.978 179.849 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.441 ' HD2' ' CD2' ' A' ' 19' ' ' LEU . 42.3 Cg_endo -68.87 109.57 2.17 Favored 'Trans proline' 0 C--N 1.31 -1.464 0 O-C-N 123.629 1.331 . . . . 0.52000000000000002 110.057 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.456 ' CH2' ' HB3' ' A' ' 64' ' ' LEU . 97.9 m95 -47.09 -26.62 1.13 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.41 -0.806 . . . . 0.68000000000000005 110.839 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.6 p -56.07 -34.31 65.83 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.196 -0.94 . . . . 1.3100000000000001 109.702 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 15.6 m0 -106.54 7.09 30.64 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.44 -0.787 . . . . 2.6400000000000001 110.611 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.446 ' HA ' ' HA ' ' A' ' 43' ' ' THR . 46.3 t -93.65 147.43 5.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 120.933 -1.104 . . . . 1.0700000000000001 109.973 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.403 ' N ' HG11 ' A' ' 24' ' ' VAL . 2.1 ttt85 -124.4 -61.33 1.34 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.209 -0.932 . . . . 2.6899999999999999 110.497 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.1 p -153.54 -153.46 0.47 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.19 -0.944 . . . . 0.87 110.453 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.519 ' CE2' ' CG2' ' A' ' 62' ' ' ILE . 3.0 p90 -155.67 -172.79 4.27 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.334 -0.854 . . . . 1.3 110.158 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.431 ' CG ' ' HB ' ' A' ' 40' ' ' ILE . 11.2 pt-20 -177.38 137.86 0.22 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.35 -0.844 . . . . 1.4299999999999999 110.185 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -84.91 148.24 26.34 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.165 -0.959 . . . . 1.24 109.987 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 p -65.93 178.95 0.97 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.267 -0.896 . . . . 1.1399999999999999 110.337 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.8 t -83.45 173.56 11.39 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.32 -0.863 . . . . 1.9299999999999999 110.277 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -85.39 -26.02 26.69 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.291 -0.881 . . . . 3.3399999999999999 110.136 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.8 t -70.02 -24.87 63.35 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.19 -0.944 . . . . 1.97 110.106 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 99.2 m -56.28 148.02 19.62 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.262 -0.899 . . . . 0.97999999999999998 110.124 179.935 -65.596 -68.555 -78.135 104.219 2.021 104.358 -56.935 -57.184 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.0 m -82.47 -8.07 59.63 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.217 -0.927 . . . . 1.95 110.666 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -138.51 91.72 2.57 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.994 -1.066 . . . . 3.3100000000000001 110.289 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.03 129.73 43.59 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.182 -0.949 . . . . 4.1699999999999999 110.131 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -154.42 149.92 27.32 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.245 -0.909 . . . . 1.1599999999999999 110.351 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.429 ' CG2' ' HB3' ' A' ' 53' ' ' PRO . 85.8 t -85.59 162.39 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.222 -0.924 . . . . 1.1299999999999999 109.944 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.431 ' HB ' ' CG ' ' A' ' 28' ' ' GLU . 22.8 mt -135.6 138.57 47.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 O-C-N 121.13 -0.981 . . . . 1.1200000000000001 109.962 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -113.97 125.55 54.14 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.675 -0.861 . . . . 0.45000000000000001 108.675 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.449 HG23 ' CD ' ' A' ' 48' ' ' LYS . 0.3 OUTLIER -96.83 142.84 28.35 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.994 -1.067 . . . . 1.97 110.947 -178.824 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.446 ' HA ' ' HA ' ' A' ' 24' ' ' VAL . 10.8 p -101.6 -175.92 2.99 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.539 -0.726 . . . . 1.0800000000000001 110.85 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -79.95 -16.47 55.19 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.416 -0.803 . . . . 1.99 110.608 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.57 -11.96 59.86 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.087 -1.008 . . . . 4.0700000000000003 110.49 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 96.29 12.24 52.17 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.856 -1.298 . . . . 0.89000000000000001 109.856 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.9 tttp -101.77 110.26 22.2 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.075 -1.25 . . . . 2.7599999999999998 110.051 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.449 ' CD ' HG23 ' A' ' 42' ' ' THR . 6.3 mtmm -80.17 128.3 33.35 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.218 -0.926 . . . . 2.1000000000000001 109.882 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 59.9 t -107.33 136.51 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.194 -0.941 . . . . 1.2 110.449 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.41 ' O ' ' CG2' ' A' ' 51' ' ' THR . 96.2 m -85.24 157.75 20.52 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.16 -0.963 . . . . 0.41999999999999998 110.348 179.923 -69.014 -100.483 -58.828 104.316 2.021 104.276 -83.919 -81.931 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.41 ' CG2' ' O ' ' A' ' 50' ' ' CYS . 2.6 p -158.48 174.37 15.2 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.313 -0.867 . . . . 1.1100000000000001 110.053 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.462 ' NE2' ' CE2' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -99.26 135.36 20.77 Favored Pre-proline 0 N--CA 1.489 1.515 0 O-C-N 121.161 -0.962 . . . . 2.4199999999999999 110.37 -179.844 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.429 ' HB3' ' CG2' ' A' ' 39' ' ' VAL . 47.1 Cg_endo -73.83 -22.07 18.02 Favored 'Trans proline' 0 C--N 1.311 -1.418 0 O-C-N 123.54 1.284 . . . . 0.55000000000000004 110.252 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.9 ttt180 -64.96 -50.12 67.64 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.22 -0.925 . . . . 4.0700000000000003 110.446 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.433 ' CA ' ' HE2' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -50.13 123.88 9.17 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.199 -0.938 . . . . 2.3599999999999999 110.516 -179.804 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -57.97 -40.75 81.38 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.383 -0.823 . . . . 3.3900000000000001 110.79 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.488 ' CE2' HG21 ' A' ' 58' ' ' VAL . 0.8 OUTLIER -53.25 -37.43 62.08 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.06 -1.025 . . . . 1.6899999999999999 109.973 -179.746 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.488 HG21 ' CE2' ' A' ' 57' ' ' TRP . 67.5 t -68.31 -40.8 83.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.185 -0.947 . . . . 1.2 109.864 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -61.84 -29.32 70.1 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.317 -0.864 . . . . 2.4199999999999999 108.854 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -75.34 -31.51 60.59 Favored 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 119.976 -0.689 . . . . 2.98 109.527 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.426 ' CD1' ' CZ3' ' A' ' 57' ' ' TRP . 2.8 m-85 -76.58 -37.83 55.9 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.27 -0.894 . . . . 1.1100000000000001 110.291 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.519 ' CG2' ' CE2' ' A' ' 27' ' ' TYR . 52.4 mt -64.55 -52.61 52.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.179 -0.951 . . . . 1.47 109.822 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 m -61.34 -33.76 74.16 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.275 -0.89 . . . . 1.8300000000000001 110.029 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.456 ' HB3' ' CH2' ' A' ' 21' ' ' TRP . 12.1 mt -76.31 -54.26 7.02 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.225 -0.922 . . . . 1.6100000000000001 110.25 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.403 ' CD2' HG12 ' A' ' 24' ' ' VAL . 11.8 mt -54.66 -41.41 70.12 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.178 -0.951 . . . . 1.45 110.171 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -174.39 141.84 0.73 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.399 -0.813 . . . . 5.3300000000000001 110.124 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 52.7 m -94.33 140.76 22.88 Favored Pre-proline 0 N--CA 1.489 1.502 0 O-C-N 121.273 -0.892 . . . . 5.2199999999999998 110.288 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -74.12 81.26 2.01 Favored 'Trans proline' 0 C--N 1.312 -1.39 0 O-C-N 123.668 1.351 . . . . 4.3600000000000003 110.336 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.0 pttt -115.89 52.9 0.87 Allowed 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.236 -0.915 . . . . 8.1099999999999994 110.519 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -120.8 124.19 44.48 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.164 -0.96 . . . . 8.3200000000000003 110.329 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.3 mp . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 118.002 -0.999 . . . . 9.4700000000000006 110.152 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 17.8 m . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.298 0.57 . . . . 16.65 110.185 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.28 44.59 2.83 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.256 -0.903 . . . . 15.92 110.16 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -123.61 -99.85 1.4 Allowed Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.542 -1.423 . . . . 11.96 109.542 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.0 t -123.11 88.0 2.85 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.297 -1.119 . . . . 10.16 110.274 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -65.78 -16.76 64.09 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.243 -0.911 . . . . 8.12 110.433 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.542 HG22 ' O ' ' A' ' 6' ' ' ILE . 56.4 mt -93.14 39.42 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.077 -1.014 . . . . 7.8 110.128 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.84 41.24 1.1 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.196 -0.94 . . . . 4.59 110.384 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.73 62.94 1.1 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.185 -0.947 . . . . 6.0 110.069 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.41 HG22 ' H ' ' A' ' 9' ' ' THR . 7.9 t -102.54 149.98 23.86 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.258 -0.901 . . . . 2.52 110.266 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 63.7 m -79.34 -177.91 5.97 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.237 -0.914 . . . . 0.97 110.112 -179.994 -57.184 -56.935 -78.135 104.358 2.021 104.219 -68.555 -65.596 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.583 ' SG ' HD11 ' A' ' 40' ' ' ILE . 15.5 m -132.07 -176.9 4.22 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.182 -0.948 . . . . 0.84 110.172 179.817 -81.931 -83.919 -58.828 104.276 2.021 104.316 -100.483 -69.014 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -160.11 -64.05 0.07 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.232 -0.918 . . . . 3.48 110.092 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -77.17 145.64 37.56 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.219 -0.925 . . . . 2.89 109.993 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.462 ' CE2' ' NE2' ' A' ' 52' ' ' HIS . 26.7 m-85 -128.66 119.6 24.99 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.2 -0.938 . . . . 0.71 110.283 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.81 140.99 38.11 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.259 -0.901 . . . . 1.59 110.323 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -114.77 74.83 0.9 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.265 -0.897 . . . . 3.3 110.131 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.08 148.44 3.66 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.252 -0.905 . . . . 3.07 110.219 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -73.55 109.99 2.97 Favored 'Trans proline' 0 C--N 1.312 -1.362 0 O-C-N 123.73 1.384 . . . . 0.67 110.449 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.604 HD22 HG22 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -69.82 149.1 96.63 Favored Pre-proline 0 N--CA 1.49 1.558 0 O-C-N 121.274 -0.891 . . . . 0.99 109.978 179.849 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.618 ' O ' HG23 ' A' ' 24' ' ' VAL . 42.3 Cg_endo -68.87 109.57 2.17 Favored 'Trans proline' 0 C--N 1.31 -1.464 0 O-C-N 123.629 1.331 . . . . 0.46 110.057 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.484 ' CH2' ' HB3' ' A' ' 64' ' ' LEU . 97.9 m95 -47.09 -26.62 1.13 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.41 -0.806 . . . . 0.6 110.839 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.6 p -56.07 -34.31 65.83 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.196 -0.94 . . . . 0.82 109.702 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 15.6 m0 -106.54 7.09 30.64 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.44 -0.787 . . . . 2.23 110.611 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.911 HG12 HD21 ' A' ' 65' ' ' LEU . 46.3 t -93.65 147.43 5.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 120.933 -1.104 . . . . 0.36 109.973 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 ttt85 -124.4 -61.33 1.34 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.209 -0.932 . . . . 2.2 110.497 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.655 ' O ' HD13 ' A' ' 65' ' ' LEU . 18.1 p -153.54 -153.46 0.47 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.19 -0.944 . . . . 0.46 110.453 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.949 ' CE2' HG23 ' A' ' 62' ' ' ILE . 3.0 p90 -155.67 -172.79 4.27 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.334 -0.854 . . . . 0.96 110.158 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.439 ' CG ' ' HB ' ' A' ' 40' ' ' ILE . 11.2 pt-20 -177.38 137.86 0.22 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.35 -0.844 . . . . 1.43 110.185 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -84.91 148.24 26.34 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.165 -0.959 . . . . 0.99 109.987 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 p -65.93 178.95 0.97 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.267 -0.896 . . . . 0.47 110.337 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.8 t -83.45 173.56 11.39 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.32 -0.863 . . . . 1.73 110.277 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -85.39 -26.02 26.69 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.291 -0.881 . . . . 2.68 110.136 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.8 t -70.02 -24.87 63.35 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.19 -0.944 . . . . 1.66 110.106 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 99.2 m -56.28 148.02 19.62 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.262 -0.899 . . . . 0.98 110.124 179.935 -65.596 -68.555 -78.135 104.219 2.021 104.358 -56.935 -57.184 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.0 m -82.47 -8.07 59.63 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.217 -0.927 . . . . 1.71 110.666 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -138.51 91.72 2.57 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.994 -1.066 . . . . 2.74 110.289 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.03 129.73 43.59 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.182 -0.949 . . . . 3.58 110.131 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.442 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . . . -154.42 149.92 27.32 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.245 -0.909 . . . . 0.47 110.351 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.473 HG23 ' HB3' ' A' ' 53' ' ' PRO . 85.8 t -85.59 162.39 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.222 -0.924 . . . . 0.4 109.944 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.583 HD11 ' SG ' ' A' ' 11' ' ' CYS . 22.8 mt -135.6 138.57 47.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 O-C-N 121.13 -0.981 . . . . 0.47 109.962 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.56 ' CE2' HG13 ' A' ' 58' ' ' VAL . 19.0 m-85 -113.97 125.55 54.14 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.675 -0.861 . . . . 0.38 108.675 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.562 HG23 ' HG2' ' A' ' 48' ' ' LYS . 0.3 OUTLIER -96.83 142.84 28.35 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.994 -1.067 . . . . 1.36 110.947 -178.824 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.488 ' HA ' ' HA ' ' A' ' 24' ' ' VAL . 10.8 p -101.6 -175.92 2.99 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.539 -0.726 . . . . 0.43 110.85 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -79.95 -16.47 55.19 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.416 -0.803 . . . . 1.44 110.608 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.57 -11.96 59.86 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.087 -1.008 . . . . 3.35 110.49 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 96.29 12.24 52.17 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.856 -1.298 . . . . 0.89 109.856 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.9 tttp -101.77 110.26 22.2 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.075 -1.25 . . . . 2.36 110.051 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.562 ' HG2' HG23 ' A' ' 42' ' ' THR . 6.3 mtmm -80.17 128.3 33.35 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.218 -0.926 . . . . 1.6 109.882 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 40' ' ' ILE . 59.9 t -107.33 136.51 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.194 -0.941 . . . . 0.47 110.449 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.661 ' O ' HG23 ' A' ' 51' ' ' THR . 96.2 m -85.24 157.75 20.52 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.16 -0.963 . . . . 0.42 110.348 179.923 -69.014 -100.483 -58.828 104.316 2.021 104.276 -83.919 -81.931 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.661 HG23 ' O ' ' A' ' 50' ' ' CYS . 2.6 p -158.48 174.37 15.2 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.313 -0.867 . . . . 0.42 110.053 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.462 ' NE2' ' CE2' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -99.26 135.36 20.77 Favored Pre-proline 0 N--CA 1.489 1.515 0 O-C-N 121.161 -0.962 . . . . 1.5 110.37 -179.844 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.473 ' HB3' HG23 ' A' ' 39' ' ' VAL . 47.1 Cg_endo -73.83 -22.07 18.02 Favored 'Trans proline' 0 C--N 1.311 -1.418 0 O-C-N 123.54 1.284 . . . . 0.47 110.252 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.9 ttt180 -64.96 -50.12 67.64 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.22 -0.925 . . . . 3.35 110.446 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.422 ' HE2' ' CA ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -50.13 123.88 9.17 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.199 -0.938 . . . . 1.9 110.516 -179.804 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -57.97 -40.75 81.38 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.383 -0.823 . . . . 3.07 110.79 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.497 ' CD1' HG23 ' A' ' 58' ' ' VAL . 0.8 OUTLIER -53.25 -37.43 62.08 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.06 -1.025 . . . . 1.2 109.973 -179.746 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.56 HG13 ' CE2' ' A' ' 41' ' ' PHE . 67.5 t -68.31 -40.8 83.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.185 -0.947 . . . . 0.44 109.864 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.476 ' HA ' HD12 ' A' ' 62' ' ' ILE . 5.9 mt-30 -61.84 -29.32 70.1 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.317 -0.864 . . . . 2.0 108.854 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -75.34 -31.51 60.59 Favored 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 119.976 -0.689 . . . . 2.54 109.527 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.426 ' CD1' ' CZ3' ' A' ' 57' ' ' TRP . 2.8 m-85 -76.58 -37.83 55.9 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.27 -0.894 . . . . 0.63 110.291 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.949 HG23 ' CE2' ' A' ' 27' ' ' TYR . 52.4 mt -64.55 -52.61 52.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.179 -0.951 . . . . 0.73 109.822 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 m -61.34 -33.76 74.16 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.275 -0.89 . . . . 1.48 110.029 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.484 ' HB3' ' CH2' ' A' ' 21' ' ' TRP . 12.1 mt -76.31 -54.26 7.02 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.225 -0.922 . . . . 0.91 110.25 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.911 HD21 HG12 ' A' ' 24' ' ' VAL . 11.8 mt -54.66 -41.41 70.12 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.178 -0.951 . . . . 1.4 110.171 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -174.39 141.84 0.73 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.399 -0.813 . . . . 4.93 110.124 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 52.7 m -94.33 140.76 22.88 Favored Pre-proline 0 N--CA 1.489 1.502 0 O-C-N 121.273 -0.892 . . . . 4.82 110.288 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -74.12 81.26 2.01 Favored 'Trans proline' 0 C--N 1.312 -1.39 0 O-C-N 123.668 1.351 . . . . 4.04 110.336 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.0 pttt -115.89 52.9 0.87 Allowed 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.236 -0.915 . . . . 7.82 110.519 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -120.8 124.19 44.48 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.164 -0.96 . . . . 7.81 110.329 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.3 mp . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 118.002 -0.999 . . . . 9.15 110.152 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 17.8 m . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.298 0.57 . . . . 16.649999999999999 110.185 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.28 44.59 2.83 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.256 -0.903 . . . . 15.92 110.16 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -123.61 -99.85 1.4 Allowed Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.542 -1.423 . . . . 11.960000000000001 109.542 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.0 t -123.11 88.0 2.85 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.297 -1.119 . . . . 10.16 110.274 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -65.78 -16.76 64.09 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.243 -0.911 . . . . 8.1199999999999992 110.433 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.542 HG22 ' O ' ' A' ' 6' ' ' ILE . 56.4 mt -93.14 39.42 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.077 -1.014 . . . . 7.7999999999999998 110.128 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.84 41.24 1.1 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.196 -0.94 . . . . 4.5899999999999999 110.384 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.73 62.94 1.1 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.185 -0.947 . . . . 6.0 110.069 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.41 HG22 ' H ' ' A' ' 9' ' ' THR . 7.9 t -102.54 149.98 23.86 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.258 -0.901 . . . . 2.52 110.266 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 63.7 m -79.34 -177.91 5.97 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.237 -0.914 . . . . 0.96999999999999997 110.112 -179.994 -57.184 -56.935 -78.135 104.358 2.021 104.219 -68.555 -65.596 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.583 ' SG ' HD11 ' A' ' 40' ' ' ILE . 15.5 m -132.07 -176.9 4.22 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.182 -0.948 . . . . 0.83999999999999997 110.172 179.817 -81.931 -83.919 -58.828 104.276 2.021 104.316 -100.483 -69.014 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -160.11 -64.05 0.07 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.232 -0.918 . . . . 3.48 110.092 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -77.17 145.64 37.56 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.219 -0.925 . . . . 2.8900000000000001 109.993 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.462 ' CE2' ' NE2' ' A' ' 52' ' ' HIS . 26.7 m-85 -128.66 119.6 24.99 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.2 -0.938 . . . . 0.70999999999999996 110.283 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.81 140.99 38.11 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.259 -0.901 . . . . 1.5900000000000001 110.323 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -114.77 74.83 0.9 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.265 -0.897 . . . . 3.2999999999999998 110.131 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.08 148.44 3.66 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.252 -0.905 . . . . 3.0699999999999998 110.219 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -73.55 109.99 2.97 Favored 'Trans proline' 0 C--N 1.312 -1.362 0 O-C-N 123.73 1.384 . . . . 0.67000000000000004 110.449 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.604 HD22 HG22 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -69.82 149.1 96.63 Favored Pre-proline 0 N--CA 1.49 1.558 0 O-C-N 121.274 -0.891 . . . . 0.98999999999999999 109.978 179.849 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.618 ' O ' HG23 ' A' ' 24' ' ' VAL . 42.3 Cg_endo -68.87 109.57 2.17 Favored 'Trans proline' 0 C--N 1.31 -1.464 0 O-C-N 123.629 1.331 . . . . 0.46000000000000002 110.057 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.484 ' CH2' ' HB3' ' A' ' 64' ' ' LEU . 97.9 m95 -47.09 -26.62 1.13 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.41 -0.806 . . . . 0.59999999999999998 110.839 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.6 p -56.07 -34.31 65.83 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.196 -0.94 . . . . 0.81999999999999995 109.702 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 15.6 m0 -106.54 7.09 30.64 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.44 -0.787 . . . . 2.23 110.611 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.911 HG12 HD21 ' A' ' 65' ' ' LEU . 46.3 t -93.65 147.43 5.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 120.933 -1.104 . . . . 0.35999999999999999 109.973 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 ttt85 -124.4 -61.33 1.34 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.209 -0.932 . . . . 2.2000000000000002 110.497 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.655 ' O ' HD13 ' A' ' 65' ' ' LEU . 18.1 p -153.54 -153.46 0.47 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.19 -0.944 . . . . 0.46000000000000002 110.453 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.949 ' CE2' HG23 ' A' ' 62' ' ' ILE . 3.0 p90 -155.67 -172.79 4.27 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.334 -0.854 . . . . 0.95999999999999996 110.158 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.439 ' CG ' ' HB ' ' A' ' 40' ' ' ILE . 11.2 pt-20 -177.38 137.86 0.22 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.35 -0.844 . . . . 1.4299999999999999 110.185 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -84.91 148.24 26.34 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.165 -0.959 . . . . 0.98999999999999999 109.987 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 p -65.93 178.95 0.97 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.267 -0.896 . . . . 0.46999999999999997 110.337 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.8 t -83.45 173.56 11.39 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.32 -0.863 . . . . 1.73 110.277 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -85.39 -26.02 26.69 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.291 -0.881 . . . . 2.6800000000000002 110.136 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.8 t -70.02 -24.87 63.35 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.19 -0.944 . . . . 1.6599999999999999 110.106 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 99.2 m -56.28 148.02 19.62 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.262 -0.899 . . . . 0.97999999999999998 110.124 179.935 -65.596 -68.555 -78.135 104.219 2.021 104.358 -56.935 -57.184 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.0 m -82.47 -8.07 59.63 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.217 -0.927 . . . . 1.71 110.666 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -138.51 91.72 2.57 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.994 -1.066 . . . . 2.7400000000000002 110.289 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.03 129.73 43.59 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.182 -0.949 . . . . 3.5800000000000001 110.131 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.442 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . . . -154.42 149.92 27.32 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.245 -0.909 . . . . 0.46999999999999997 110.351 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.473 HG23 ' HB3' ' A' ' 53' ' ' PRO . 85.8 t -85.59 162.39 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.222 -0.924 . . . . 0.40000000000000002 109.944 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.583 HD11 ' SG ' ' A' ' 11' ' ' CYS . 22.8 mt -135.6 138.57 47.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 O-C-N 121.13 -0.981 . . . . 0.46999999999999997 109.962 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.56 ' CE2' HG13 ' A' ' 58' ' ' VAL . 19.0 m-85 -113.97 125.55 54.14 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.675 -0.861 . . . . 0.38 108.675 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.562 HG23 ' HG2' ' A' ' 48' ' ' LYS . 0.3 OUTLIER -96.83 142.84 28.35 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.994 -1.067 . . . . 1.3600000000000001 110.947 -178.824 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.488 ' HA ' ' HA ' ' A' ' 24' ' ' VAL . 10.8 p -101.6 -175.92 2.99 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.539 -0.726 . . . . 0.42999999999999999 110.85 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -79.95 -16.47 55.19 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.416 -0.803 . . . . 1.4399999999999999 110.608 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.57 -11.96 59.86 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.087 -1.008 . . . . 3.3500000000000001 110.49 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 96.29 12.24 52.17 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.856 -1.298 . . . . 0.89000000000000001 109.856 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.9 tttp -101.77 110.26 22.2 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.075 -1.25 . . . . 2.3599999999999999 110.051 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.562 ' HG2' HG23 ' A' ' 42' ' ' THR . 6.3 mtmm -80.17 128.3 33.35 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.218 -0.926 . . . . 1.6000000000000001 109.882 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 40' ' ' ILE . 59.9 t -107.33 136.51 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.194 -0.941 . . . . 0.46999999999999997 110.449 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.661 ' O ' HG23 ' A' ' 51' ' ' THR . 96.2 m -85.24 157.75 20.52 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.16 -0.963 . . . . 0.41999999999999998 110.348 179.923 -69.014 -100.483 -58.828 104.316 2.021 104.276 -83.919 -81.931 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.661 HG23 ' O ' ' A' ' 50' ' ' CYS . 2.6 p -158.48 174.37 15.2 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.313 -0.867 . . . . 0.41999999999999998 110.053 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.462 ' NE2' ' CE2' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -99.26 135.36 20.77 Favored Pre-proline 0 N--CA 1.489 1.515 0 O-C-N 121.161 -0.962 . . . . 1.5 110.37 -179.844 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.473 ' HB3' HG23 ' A' ' 39' ' ' VAL . 47.1 Cg_endo -73.83 -22.07 18.02 Favored 'Trans proline' 0 C--N 1.311 -1.418 0 O-C-N 123.54 1.284 . . . . 0.46999999999999997 110.252 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.9 ttt180 -64.96 -50.12 67.64 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.22 -0.925 . . . . 3.3500000000000001 110.446 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.422 ' CA ' ' HE2' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -50.13 123.88 9.17 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.199 -0.938 . . . . 1.8999999999999999 110.516 -179.804 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -57.97 -40.75 81.38 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.383 -0.823 . . . . 3.0699999999999998 110.79 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.497 ' CD1' HG23 ' A' ' 58' ' ' VAL . 0.8 OUTLIER -53.25 -37.43 62.08 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.06 -1.025 . . . . 1.2 109.973 -179.746 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.56 HG13 ' CE2' ' A' ' 41' ' ' PHE . 67.5 t -68.31 -40.8 83.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.185 -0.947 . . . . 0.44 109.864 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.476 ' HA ' HD12 ' A' ' 62' ' ' ILE . 5.9 mt-30 -61.84 -29.32 70.1 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.317 -0.864 . . . . 2.0 108.854 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -75.34 -31.51 60.59 Favored 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 119.976 -0.689 . . . . 2.54 109.527 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.426 ' CD1' ' CZ3' ' A' ' 57' ' ' TRP . 2.8 m-85 -76.58 -37.83 55.9 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.27 -0.894 . . . . 0.63 110.291 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.949 HG23 ' CE2' ' A' ' 27' ' ' TYR . 52.4 mt -64.55 -52.61 52.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.179 -0.951 . . . . 0.72999999999999998 109.822 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 m -61.34 -33.76 74.16 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.275 -0.89 . . . . 1.48 110.029 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.484 ' HB3' ' CH2' ' A' ' 21' ' ' TRP . 12.1 mt -76.31 -54.26 7.02 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.225 -0.922 . . . . 0.91000000000000003 110.25 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.911 HD21 HG12 ' A' ' 24' ' ' VAL . 11.8 mt -54.66 -41.41 70.12 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.178 -0.951 . . . . 1.3999999999999999 110.171 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -174.39 141.84 0.73 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.399 -0.813 . . . . 4.9299999999999997 110.124 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 52.7 m -94.33 140.76 22.88 Favored Pre-proline 0 N--CA 1.489 1.502 0 O-C-N 121.273 -0.892 . . . . 4.8200000000000003 110.288 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -74.12 81.26 2.01 Favored 'Trans proline' 0 C--N 1.312 -1.39 0 O-C-N 123.668 1.351 . . . . 4.04 110.336 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.0 pttt -115.89 52.9 0.87 Allowed 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.236 -0.915 . . . . 7.8200000000000003 110.519 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -120.8 124.19 44.48 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.164 -0.96 . . . . 7.8099999999999996 110.329 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.3 mp . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 118.002 -0.999 . . . . 9.1500000000000004 110.152 -179.981 . . . . . . . . 0 0 . 1 stop_ save_