data_1ixa_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 1ixa _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 ' 46' ' ' VAL . . . . . . . . . . . . . 11.7 m . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 122.454 1.121 . . . . 0.0 109.256 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -98.69 -10.53 23.07 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-N 113.132 -1.849 . . . . 0.0 108.759 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -109.62 44.97 1.39 Allowed Glycine 0 N--CA 1.492 2.4 0 N-CA-C 105.374 -3.09 . . . . 0.0 105.374 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -112.7 70.54 0.72 Allowed 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 104.135 -2.543 . . . . 0.0 104.135 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.9 mm-40 -86.59 -7.8 58.04 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-N 111.411 -2.631 . . . . 0.0 107.487 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.9 m -113.5 69.9 0.71 Allowed 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 104.993 -2.225 . . . . 0.0 104.993 179.882 -48.563 -43.745 -74.866 101.498 2.017 100.722 -87.855 170.371 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -100.79 -58.74 1.83 Allowed 'General case' 0 N--CA 1.49 1.568 0 CA-C-N 113.03 -1.895 . . . . 0.0 107.939 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.7 t -123.94 56.95 1.22 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 124.769 1.293 . . . . 0.0 108.972 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 24.03 71.92 0.32 Allowed Pre-proline 0 N--CA 1.505 2.287 0 O-C-N 124.52 1.138 . . . . 0.0 113.977 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -55.38 -37.66 94.5 Favored 'Trans proline' 0 N--CA 1.492 1.4 0 C-N-CA 123.486 2.791 . . . . 0.0 111.022 -172.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 4.9 m -57.25 151.28 16.1 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-N 114.082 -1.417 . . . . 0.0 108.361 179.889 -41.689 -68.852 -90.127 108.751 2.023 104.141 -80.383 -83.759 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 29.8 mt -118.17 172.82 7.17 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 123.143 0.277 . . . . 0.0 111.44 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 88.45 -36.49 0.03 OUTLIER 'General case' 0 N--CA 1.509 2.501 0 O-C-N 125.454 1.721 . . . . 0.0 110.689 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 127.98 59.25 0.12 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 105.623 -2.991 . . . . 0.0 105.623 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -111.32 -178.96 20.27 Favored Glycine 0 N--CA 1.492 2.405 0 CA-C-N 113.224 -1.488 . . . . 0.0 109.703 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.2 t -117.8 158.18 25.24 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-N 114.609 -0.796 . . . . 0.0 108.951 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 15.9 t -111.47 124.06 51.5 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 105.268 -2.123 . . . . 0.0 105.268 179.681 170.371 -87.855 -74.866 100.722 2.017 101.498 -43.745 -48.563 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -118.27 152.69 35.27 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 105.326 -2.101 . . . . 0.0 105.326 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -107.57 159.17 16.64 Favored 'General case' 0 N--CA 1.498 1.958 0 C-N-CA 119.473 -0.891 . . . . 0.0 109.312 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -118.31 -82.01 0.63 Allowed 'General case' 0 N--CA 1.486 1.345 0 O-C-N 124.717 1.261 . . . . 0.0 111.849 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 88.7 mt -131.41 -64.56 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 CA-C-N 114.765 -1.107 . . . . 0.0 111.148 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -115.19 -41.05 3.36 Favored 'General case' 0 N--CA 1.499 2.01 0 CA-C-N 113.68 -1.6 . . . . 0.0 108.904 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.2 m -105.52 -175.21 2.73 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-N 113.017 -1.901 . . . . 0.0 109.305 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -116.89 174.3 6.17 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-N 113.878 -1.51 . . . . 0.0 113.757 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -139.69 133.8 31.07 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-N 110.761 -2.927 . . . . 0.0 104.701 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.434 ' SG ' ' HA ' ' A' ' 81' ' ' ASN . 9.7 m -100.07 147.9 25.14 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 105.966 -1.864 . . . . 0.0 105.966 179.527 -83.759 -80.383 -90.127 104.141 2.023 108.751 -68.852 -41.689 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 20.2 t90 -114.12 113.19 24.37 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 103.627 -2.731 . . . . 0.0 103.627 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 3.7 m -102.73 153.3 38.3 Favored Pre-proline 0 C--N 1.303 -1.42 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 -179.753 -38.901 -62.236 -87.011 104.995 2.019 104.97 -73.822 -47.614 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.494 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 38.3 Cg_endo -58.84 167.34 5.52 Favored 'Trans proline' 0 C--N 1.315 -1.235 0 C-N-CA 121.503 1.469 . . . . 0.0 111.304 170.067 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -68.06 106.11 2.27 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-N 114.292 -1.322 . . . . 0.0 110.539 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 129.27 -8.63 6.27 Favored Glycine 0 N--CA 1.495 2.588 0 CA-C-N 114.435 -1.257 . . . . 0.0 112.926 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.494 ' CD1' ' HG2' ' A' ' 74' ' ' PRO . 25.9 m-85 -117.9 143.73 46.07 Favored 'General case' 0 N--CA 1.501 2.099 0 CA-C-N 117.603 0.701 . . . . 0.0 111.23 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -137.02 179.01 6.63 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 124.347 1.029 . . . . 0.0 111.569 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 123.5 -172.7 16.28 Favored Glycine 0 N--CA 1.496 2.681 0 CA-C-N 114.728 -1.124 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -80.32 -47.18 14.9 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.434 ' HA ' ' SG ' ' A' ' 71' ' ' CYS . 15.6 p30 -123.39 45.19 2.49 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-N 112.494 -2.139 . . . . 0.0 106.302 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 19.0 m 38.65 77.42 0.05 OUTLIER 'General case' 0 N--CA 1.506 2.337 0 CA-C-N 114.191 -1.368 . . . . 0.0 109.384 -179.914 -47.614 -73.822 -87.011 104.97 2.019 104.995 -62.236 -38.901 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -103.78 -17.77 14.94 Favored 'General case' 0 N--CA 1.499 2.0 0 CA-C-N 114.658 -1.155 . . . . 0.0 112.384 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 92.2 mt . . . . . 0 C--N 1.305 -1.359 0 CA-C-O 116.928 -1.511 . . . . 0.0 108.261 -179.937 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.7 m . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 122.454 1.121 . . . . 0.0 109.256 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -98.69 -10.53 23.07 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-N 113.132 -1.849 . . . . 0.0 108.759 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -109.62 44.97 1.39 Allowed Glycine 0 N--CA 1.492 2.4 0 N-CA-C 105.374 -3.09 . . . . 0.0 105.374 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -112.7 70.54 0.72 Allowed 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 104.135 -2.543 . . . . 0.0 104.135 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.402 ' CB ' ' HB3' ' A' ' 69' ' ' TYR . 73.9 mm-40 -86.59 -7.8 58.04 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-N 111.411 -2.631 . . . . 0.0 107.487 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.9 m -113.5 69.9 0.71 Allowed 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 104.993 -2.225 . . . . 0.0 104.993 179.882 -48.563 -43.745 -74.866 101.498 2.017 100.722 -87.855 170.371 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -100.79 -58.74 1.83 Allowed 'General case' 0 N--CA 1.49 1.568 0 CA-C-N 113.03 -1.895 . . . . 0.0 107.939 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.7 t -123.94 56.95 1.22 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 124.769 1.293 . . . . 0.0 108.972 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 24.03 71.92 0.32 Allowed Pre-proline 0 N--CA 1.505 2.287 0 O-C-N 124.52 1.138 . . . . 0.0 113.977 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -55.38 -37.66 94.5 Favored 'Trans proline' 0 N--CA 1.492 1.4 0 C-N-CA 123.486 2.791 . . . . 0.0 111.022 -172.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 4.9 m -57.25 151.28 16.1 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-N 114.082 -1.417 . . . . 0.0 108.361 179.889 -41.689 -68.852 -90.127 108.751 2.023 104.141 -80.383 -83.759 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 29.8 mt -118.17 172.82 7.17 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 123.143 0.277 . . . . 0.0 111.44 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 30.4 m120 88.45 -36.49 0.03 OUTLIER 'General case' 0 N--CA 1.509 2.501 0 O-C-N 125.454 1.721 . . . . 0.0 110.689 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 127.98 59.25 0.12 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 105.623 -2.991 . . . . 0.0 105.623 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -111.32 -178.96 20.27 Favored Glycine 0 N--CA 1.492 2.405 0 CA-C-N 113.224 -1.488 . . . . 0.0 109.703 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.2 t -117.8 158.18 25.24 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-N 114.609 -0.796 . . . . 0.0 108.951 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 15.9 t -111.47 124.06 51.5 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 105.268 -2.123 . . . . 0.0 105.268 179.681 170.371 -87.855 -74.866 100.722 2.017 101.498 -43.745 -48.563 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -118.27 152.69 35.27 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 105.326 -2.101 . . . . 0.0 105.326 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -107.57 159.17 16.64 Favored 'General case' 0 N--CA 1.498 1.958 0 C-N-CA 119.473 -0.891 . . . . 0.0 109.312 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -118.31 -82.01 0.63 Allowed 'General case' 0 N--CA 1.486 1.345 0 O-C-N 124.717 1.261 . . . . 0.0 111.849 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 88.7 mt -131.41 -64.56 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 CA-C-N 114.765 -1.107 . . . . 0.0 111.148 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -115.19 -41.05 3.36 Favored 'General case' 0 N--CA 1.499 2.01 0 CA-C-N 113.68 -1.6 . . . . 0.0 108.904 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.2 m -105.52 -175.21 2.73 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-N 113.017 -1.901 . . . . 0.0 109.305 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.454 ' H ' ' HD1' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -116.89 174.3 6.17 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-N 113.878 -1.51 . . . . 0.0 113.757 -179.911 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -139.69 133.8 31.07 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-N 110.761 -2.927 . . . . 0.0 104.701 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.451 ' SG ' ' HA ' ' A' ' 81' ' ' ASN . 9.7 m -100.07 147.9 25.14 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 105.966 -1.864 . . . . 0.0 105.966 179.527 -83.759 -80.383 -90.127 104.141 2.023 108.751 -68.852 -41.689 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 20.2 t90 -114.12 113.19 24.37 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 103.627 -2.731 . . . . 0.0 103.627 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 3.7 m -102.73 153.3 38.3 Favored Pre-proline 0 C--N 1.303 -1.42 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 -179.753 -38.901 -62.236 -87.011 104.995 2.019 104.97 -73.822 -47.614 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.51 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 38.3 Cg_endo -58.84 167.34 5.52 Favored 'Trans proline' 0 C--N 1.315 -1.235 0 C-N-CA 121.503 1.469 . . . . 0.0 111.304 170.067 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -68.06 106.11 2.27 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-N 114.292 -1.322 . . . . 0.0 110.539 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 129.27 -8.63 6.27 Favored Glycine 0 N--CA 1.495 2.588 0 CA-C-N 114.435 -1.257 . . . . 0.0 112.926 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.51 ' CD1' ' HG2' ' A' ' 74' ' ' PRO . 25.9 m-85 -117.9 143.73 46.07 Favored 'General case' 0 N--CA 1.501 2.099 0 CA-C-N 117.603 0.701 . . . . 0.0 111.23 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -137.02 179.01 6.63 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 124.347 1.029 . . . . 0.0 111.569 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 123.5 -172.7 16.28 Favored Glycine 0 N--CA 1.496 2.681 0 CA-C-N 114.728 -1.124 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -80.32 -47.18 14.9 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.451 ' HA ' ' SG ' ' A' ' 71' ' ' CYS . 0.7 OUTLIER -123.39 45.19 2.49 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-N 112.494 -2.139 . . . . 0.0 106.302 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 19.0 m 38.65 77.42 0.05 OUTLIER 'General case' 0 N--CA 1.506 2.337 0 CA-C-N 114.191 -1.368 . . . . 0.0 109.384 -179.914 -47.614 -73.822 -87.011 104.97 2.019 104.995 -62.236 -38.901 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -103.78 -17.77 14.94 Favored 'General case' 0 N--CA 1.499 2.0 0 CA-C-N 114.658 -1.155 . . . . 0.0 112.384 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 92.2 mt . . . . . 0 C--N 1.305 -1.359 0 CA-C-O 116.928 -1.511 . . . . 0.0 108.261 -179.937 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.7 m . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 122.454 1.121 . . . . 0.0 109.256 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -98.69 -10.53 23.07 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-N 113.132 -1.849 . . . . 0.0 108.759 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -109.62 44.97 1.39 Allowed Glycine 0 N--CA 1.492 2.4 0 N-CA-C 105.374 -3.09 . . . . 0.0 105.374 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -112.7 70.54 0.72 Allowed 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 104.135 -2.543 . . . . 0.0 104.135 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.402 ' CB ' ' HB3' ' A' ' 69' ' ' TYR . 73.9 mm-40 -86.59 -7.8 58.04 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-N 111.411 -2.631 . . . . 0.0 107.487 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.9 m -113.5 69.9 0.71 Allowed 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 104.993 -2.225 . . . . 0.0 104.993 179.882 -48.563 -43.745 -74.866 101.498 2.017 100.722 -87.855 170.371 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -100.79 -58.74 1.83 Allowed 'General case' 0 N--CA 1.49 1.568 0 CA-C-N 113.03 -1.895 . . . . 0.0 107.939 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.7 t -123.94 56.95 1.22 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 124.769 1.293 . . . . 0.0 108.972 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 24.03 71.92 0.32 Allowed Pre-proline 0 N--CA 1.505 2.287 0 O-C-N 124.52 1.138 . . . . 0.0 113.977 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -55.38 -37.66 94.5 Favored 'Trans proline' 0 N--CA 1.492 1.4 0 C-N-CA 123.486 2.791 . . . . 0.0 111.022 -172.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 4.9 m -57.25 151.28 16.1 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-N 114.082 -1.417 . . . . 0.0 108.361 179.889 -41.689 -68.852 -90.127 108.751 2.023 104.141 -80.383 -83.759 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 29.8 mt -118.17 172.82 7.17 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 123.143 0.277 . . . . 0.0 111.44 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 88.45 -36.49 0.03 OUTLIER 'General case' 0 N--CA 1.509 2.501 0 O-C-N 125.454 1.721 . . . . 0.0 110.689 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 127.98 59.25 0.12 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 105.623 -2.991 . . . . 0.0 105.623 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -111.32 -178.96 20.27 Favored Glycine 0 N--CA 1.492 2.405 0 CA-C-N 113.224 -1.488 . . . . 0.0 109.703 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.2 t -117.8 158.18 25.24 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-N 114.609 -0.796 . . . . 0.0 108.951 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 15.9 t -111.47 124.06 51.5 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 105.268 -2.123 . . . . 0.0 105.268 179.681 170.371 -87.855 -74.866 100.722 2.017 101.498 -43.745 -48.563 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -118.27 152.69 35.27 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 105.326 -2.101 . . . . 0.0 105.326 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -107.57 159.17 16.64 Favored 'General case' 0 N--CA 1.498 1.958 0 C-N-CA 119.473 -0.891 . . . . 0.0 109.312 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -118.31 -82.01 0.63 Allowed 'General case' 0 N--CA 1.486 1.345 0 O-C-N 124.717 1.261 . . . . 0.0 111.849 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 88.7 mt -131.41 -64.56 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 CA-C-N 114.765 -1.107 . . . . 0.0 111.148 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -115.19 -41.05 3.36 Favored 'General case' 0 N--CA 1.499 2.01 0 CA-C-N 113.68 -1.6 . . . . 0.0 108.904 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.2 m -105.52 -175.21 2.73 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-N 113.017 -1.901 . . . . 0.0 109.305 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.454 ' HD1' ' H ' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -116.89 174.3 6.17 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-N 113.878 -1.51 . . . . 0.0 113.757 -179.911 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -139.69 133.8 31.07 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-N 110.761 -2.927 . . . . 0.0 104.701 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.451 ' SG ' ' HA ' ' A' ' 81' ' ' ASN . 9.7 m -100.07 147.9 25.14 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 105.966 -1.864 . . . . 0.0 105.966 179.527 -83.759 -80.383 -90.127 104.141 2.023 108.751 -68.852 -41.689 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 20.2 t90 -114.12 113.19 24.37 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 103.627 -2.731 . . . . 0.0 103.627 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 3.7 m -102.73 153.3 38.3 Favored Pre-proline 0 C--N 1.303 -1.42 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 -179.753 -38.901 -62.236 -87.011 104.995 2.019 104.97 -73.822 -47.614 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.51 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 38.3 Cg_endo -58.84 167.34 5.52 Favored 'Trans proline' 0 C--N 1.315 -1.235 0 C-N-CA 121.503 1.469 . . . . 0.0 111.304 170.067 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -68.06 106.11 2.27 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-N 114.292 -1.322 . . . . 0.0 110.539 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 129.27 -8.63 6.27 Favored Glycine 0 N--CA 1.495 2.588 0 CA-C-N 114.435 -1.257 . . . . 0.0 112.926 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.51 ' CD1' ' HG2' ' A' ' 74' ' ' PRO . 25.9 m-85 -117.9 143.73 46.07 Favored 'General case' 0 N--CA 1.501 2.099 0 CA-C-N 117.603 0.701 . . . . 0.0 111.23 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -137.02 179.01 6.63 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 124.347 1.029 . . . . 0.0 111.569 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 123.5 -172.7 16.28 Favored Glycine 0 N--CA 1.496 2.681 0 CA-C-N 114.728 -1.124 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -80.32 -47.18 14.9 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.451 ' HA ' ' SG ' ' A' ' 71' ' ' CYS . 15.6 p30 -123.39 45.19 2.49 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-N 112.494 -2.139 . . . . 0.0 106.302 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 19.0 m 38.65 77.42 0.05 OUTLIER 'General case' 0 N--CA 1.506 2.337 0 CA-C-N 114.191 -1.368 . . . . 0.0 109.384 -179.914 -47.614 -73.822 -87.011 104.97 2.019 104.995 -62.236 -38.901 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -103.78 -17.77 14.94 Favored 'General case' 0 N--CA 1.499 2.0 0 CA-C-N 114.658 -1.155 . . . . 0.0 112.384 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 92.2 mt . . . . . 0 C--N 1.305 -1.359 0 CA-C-O 116.928 -1.511 . . . . 0.0 108.261 -179.937 . . . . . . . . 0 0 . 1 stop_ save_