data_5sut_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 5sut _Structure_validation_residue.Date_analyzed 2017-01-06 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 ecloud orig full ' A' A ' 1' ' ' ORN . . . . . 0.416 ' HB3' ' C ' ' A' ' 16' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.7 p -149.86 160.3 43.68 Favored 'General case' 0 C--N 1.373 1.603 0 N-CA-C 109.528 -0.545 . . . . 30.809999999999999 109.528 -179.491 69.404 54.564 122.67 104.264 13.574 77.865 -78.721 58.172 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 56.8 t -104.74 120.17 54.8 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.754 0 CA-C-N 115.534 -0.757 . . . . 27.93 110.745 -170.239 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -93.47 157.21 16.32 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 106.435 -1.691 . . . . 22.690000000000001 106.435 171.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -126.41 136.09 52.24 Favored 'General case' 0 CA--C 1.505 -0.78 0 O-C-N 123.317 0.386 . . . . 29.899999999999999 111.614 -175.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 25.9 p -125.34 159.27 32.17 Favored 'General case' 0 C--O 1.247 0.929 0 CA-C-O 121.922 0.868 . . . . 20.02 111.791 173.448 58.172 -78.721 122.67 77.865 13.574 104.264 54.564 69.404 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -96.78 122.37 39.66 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 113.788 -1.551 . . . . 49.090000000000003 108.923 177.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 43.8 t0 . . . . . 0 C--O 1.233 0.198 0 N-CA-C 107.871 -1.159 . . . . 36.68 107.871 174.336 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -98.13 154.92 17.41 Favored 'General case' 0 C--N 1.364 1.215 0 CA-C-N 114.635 -1.166 . . . . 27.789999999999999 108.991 179.066 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.0 tt -103.0 128.23 56.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 106.764 -1.569 . . . . 36.219999999999999 106.764 173.296 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ILE . . . . . 0.42 ' HA ' ' HN3' ' A' ' 13' ' ' SAR . 54.5 mt -119.16 129.49 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 CA-C-N 115.355 -0.839 . . . . 41.409999999999997 109.472 -175.343 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' SAR . . . . . 0.42 ' HN3' ' HA ' ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 36.0 tp -134.73 119.79 18.67 Favored 'General case' 0 C--O 1.213 -0.864 0 C-N-CA 124.743 1.217 . . . . 36.460000000000001 109.244 179.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' VAL . . . . . 0.416 ' C ' ' HB3' ' A' ' 1' ' ' ORN . 41.2 t . . . . . 0 N--CA 1.443 -0.789 0 CA-C-N 122.59 2.45 . . . . 37.759999999999998 107.395 178.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ORN . . . . . 0.437 ' HD2' ' HA ' ' B' ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 30.6 p -158.05 165.38 35.19 Favored 'General case' 0 C--N 1.373 1.617 0 C-N-CA 119.44 -0.904 . . . . 42.899999999999999 110.466 179.125 65.662 56.834 126.5 101.725 13.687 72.16 -84.582 65.025 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 60.9 t -105.73 114.24 44.63 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.666 0 CA-C-N 114.789 -1.096 . . . . 29.579999999999998 110.49 -167.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -88.32 158.98 18.27 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 108.193 -1.04 . . . . 28.390000000000001 108.193 171.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -124.15 137.63 54.52 Favored 'General case' 0 N--CA 1.445 -0.714 0 O-C-N 124.125 0.891 . . . . 35.170000000000002 109.941 -173.689 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 31.5 p -134.46 157.68 45.84 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 118.642 -1.223 . . . . 25.02 110.487 171.939 65.025 -84.582 126.5 72.16 13.687 101.725 56.834 65.662 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -95.5 116.52 28.94 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 115.059 -0.973 . . . . 48.670000000000002 108.71 179.405 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 22.6 t0 . . . . . 0 CA--C 1.516 -0.338 0 N-CA-C 106.792 -1.558 . . . . 51.43 106.792 -176.484 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -117.76 150.62 38.82 Favored 'General case' 0 C--N 1.365 1.246 0 N-CA-C 107.087 -1.449 . . . . 45.350000000000001 107.087 179.634 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 37.0 mm -85.57 125.1 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 N-CA-C 108.382 -0.97 . . . . 41.109999999999999 108.382 171.606 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 28.2 pt -124.25 151.33 29.3 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 N-CA-C 112.11 0.411 . . . . 59.420000000000002 112.11 179.054 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 28.2 tp -145.88 123.89 12.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 44.630000000000003 110.53 176.042 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 58.6 t . . . . . 0 C--N 1.321 -0.654 0 C-N-CA 126.514 1.925 . . . . 42.960000000000001 107.347 -179.935 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.7 p -149.86 160.3 43.68 Favored 'General case' 0 C--N 1.373 1.603 0 N-CA-C 109.528 -0.545 . . . . 25.68 109.528 -179.491 69.404 54.564 122.67 104.264 13.574 77.865 -78.721 58.172 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 56.8 t -104.74 120.17 54.8 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.754 0 CA-C-N 115.534 -0.757 . . . . 23.27 110.745 -170.239 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -93.47 157.21 16.32 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 106.435 -1.691 . . . . 18.91 106.435 171.797 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -126.41 136.09 52.24 Favored 'General case' 0 CA--C 1.505 -0.78 0 O-C-N 123.317 0.386 . . . . 24.920000000000002 111.614 -175.258 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 25.9 p -125.34 159.27 32.17 Favored 'General case' 0 C--O 1.247 0.929 0 CA-C-O 121.922 0.868 . . . . 20.02 111.791 173.448 58.172 -78.721 122.67 77.865 13.574 104.264 54.564 69.404 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -96.78 122.37 39.66 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 113.788 -1.551 . . . . 49.090000000000003 108.923 177.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 43.8 t0 . . . . . 0 C--O 1.233 0.198 0 N-CA-C 107.871 -1.159 . . . . 36.68 107.871 174.336 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -98.13 154.92 17.41 Favored 'General case' 0 C--N 1.364 1.215 0 CA-C-N 114.635 -1.166 . . . . 26.18 108.991 179.066 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.0 tt -103.0 128.23 56.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 106.764 -1.569 . . . . 30.18 106.764 173.296 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.5 mt -119.16 129.49 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 CA-C-N 115.355 -0.839 . . . . 34.509999999999998 109.472 -175.343 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 36.0 tp -134.73 119.79 18.67 Favored 'General case' 0 C--O 1.213 -0.864 0 C-N-CA 124.743 1.217 . . . . 30.379999999999999 109.244 179.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 41.2 t . . . . . 0 N--CA 1.443 -0.789 0 CA-C-N 122.59 2.45 . . . . 31.460000000000001 107.395 178.835 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 30.6 p -158.05 165.38 35.19 Favored 'General case' 0 C--N 1.373 1.617 0 C-N-CA 119.44 -0.904 . . . . 35.75 110.466 179.125 65.662 56.834 126.5 101.725 13.687 72.16 -84.582 65.025 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 60.9 t -105.73 114.24 44.63 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.666 0 CA-C-N 114.789 -1.096 . . . . 24.649999999999999 110.49 -167.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -88.32 158.98 18.27 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 108.193 -1.04 . . . . 23.66 108.193 171.32 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -124.15 137.63 54.52 Favored 'General case' 0 N--CA 1.445 -0.714 0 O-C-N 124.125 0.891 . . . . 29.300000000000001 109.941 -173.689 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 31.5 p -134.46 157.68 45.84 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 118.642 -1.223 . . . . 25.02 110.487 171.939 65.025 -84.582 126.5 72.16 13.687 101.725 56.834 65.662 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -95.5 116.52 28.94 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 115.059 -0.973 . . . . 48.670000000000002 108.71 179.405 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 22.6 t0 . . . . . 0 CA--C 1.516 -0.338 0 N-CA-C 106.792 -1.558 . . . . 51.43 106.792 -176.484 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -117.76 150.62 38.82 Favored 'General case' 0 C--N 1.365 1.246 0 N-CA-C 107.087 -1.449 . . . . 37.789999999999999 107.087 179.634 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 37.0 mm -85.57 125.1 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 N-CA-C 108.382 -0.97 . . . . 34.380000000000003 108.382 171.606 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 28.2 pt -124.25 151.33 29.3 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 N-CA-C 112.11 0.411 . . . . 49.520000000000003 112.11 179.054 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 28.2 tp -145.88 123.89 12.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 37.189999999999998 110.53 176.042 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 58.6 t . . . . . 0 C--N 1.321 -0.654 0 C-N-CA 126.514 1.925 . . . . 37.799999999999997 107.347 -179.935 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.7 p -149.86 160.3 43.68 Favored 'General case' 0 C--N 1.373 1.603 0 N-CA-C 109.528 -0.545 . . . . 25.68 109.528 -179.491 69.404 54.564 122.67 104.264 13.574 77.865 -78.721 58.172 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 56.8 t -104.74 120.17 54.8 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.754 0 CA-C-N 115.534 -0.757 . . . . 23.27 110.745 -170.239 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -93.47 157.21 16.32 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 106.435 -1.691 . . . . 18.91 106.435 171.797 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -126.41 136.09 52.24 Favored 'General case' 0 CA--C 1.505 -0.78 0 O-C-N 123.317 0.386 . . . . 24.920000000000002 111.614 -175.258 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 25.9 p -125.34 159.27 32.17 Favored 'General case' 0 C--O 1.247 0.929 0 CA-C-O 121.922 0.868 . . . . 20.02 111.791 173.448 58.172 -78.721 122.67 77.865 13.574 104.264 54.564 69.404 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -96.78 122.37 39.66 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 113.788 -1.551 . . . . 49.090000000000003 108.923 177.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 43.8 t0 . . . . . 0 C--O 1.233 0.198 0 N-CA-C 107.871 -1.159 . . . . 36.68 107.871 174.336 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -98.13 154.92 17.41 Favored 'General case' 0 C--N 1.364 1.215 0 CA-C-N 114.635 -1.166 . . . . 26.18 108.991 179.066 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.0 tt -103.0 128.23 56.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 106.764 -1.569 . . . . 30.18 106.764 173.296 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.5 mt -119.16 129.49 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 CA-C-N 115.355 -0.839 . . . . 34.509999999999998 109.472 -175.343 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 36.0 tp -134.73 119.79 18.67 Favored 'General case' 0 C--O 1.213 -0.864 0 C-N-CA 124.743 1.217 . . . . 30.379999999999999 109.244 179.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 41.2 t . . . . . 0 N--CA 1.443 -0.789 0 CA-C-N 122.59 2.45 . . . . 31.460000000000001 107.395 178.835 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 30.6 p -158.05 165.38 35.19 Favored 'General case' 0 C--N 1.373 1.617 0 C-N-CA 119.44 -0.904 . . . . 35.75 110.466 179.125 65.662 56.834 126.5 101.725 13.687 72.16 -84.582 65.025 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 60.9 t -105.73 114.24 44.63 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.666 0 CA-C-N 114.789 -1.096 . . . . 24.649999999999999 110.49 -167.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -88.32 158.98 18.27 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 108.193 -1.04 . . . . 23.66 108.193 171.32 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -124.15 137.63 54.52 Favored 'General case' 0 N--CA 1.445 -0.714 0 O-C-N 124.125 0.891 . . . . 29.300000000000001 109.941 -173.689 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 31.5 p -134.46 157.68 45.84 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 118.642 -1.223 . . . . 25.02 110.487 171.939 65.025 -84.582 126.5 72.16 13.687 101.725 56.834 65.662 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -95.5 116.52 28.94 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 115.059 -0.973 . . . . 48.670000000000002 108.71 179.405 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 22.6 t0 . . . . . 0 CA--C 1.516 -0.338 0 N-CA-C 106.792 -1.558 . . . . 51.43 106.792 -176.484 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -117.76 150.62 38.82 Favored 'General case' 0 C--N 1.365 1.246 0 N-CA-C 107.087 -1.449 . . . . 37.789999999999999 107.087 179.634 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 37.0 mm -85.57 125.1 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 N-CA-C 108.382 -0.97 . . . . 34.380000000000003 108.382 171.606 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 28.2 pt -124.25 151.33 29.3 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 N-CA-C 112.11 0.411 . . . . 49.520000000000003 112.11 179.054 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 28.2 tp -145.88 123.89 12.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 37.189999999999998 110.53 176.042 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 58.6 t . . . . . 0 C--N 1.321 -0.654 0 C-N-CA 126.514 1.925 . . . . 37.799999999999997 107.347 -179.935 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_