data_5w4h_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 5w4h _Structure_validation_residue.Date_analyzed 2017-11-17 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 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -80.66 149.52 29.76 Favored 'General case' 0 N--CA 1.429 -1.508 0 N-CA-C 107.343 -1.355 . . . . 94.790000000000006 107.343 176.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 61.3 mt -105.59 125.89 51.51 Favored 'General case' 0 CA--C 1.509 -0.606 0 N-CA-C 108.311 -0.996 . . . . 46.439999999999998 108.311 173.41 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 87.8 t -107.2 127.65 62.78 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.689 0 N-CA-C 106.782 -1.562 . . . . 46.490000000000002 106.782 177.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' MEA . . . . . 0.438 ' HB2' ' HC3' ' A' ' 5' ' ' MEA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -133.61 154.7 50.69 Favored 'General case' 0 C--O 1.255 1.347 0 N-CA-C 106.396 -1.705 . . . . 45.670000000000002 106.396 175.647 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -125.1 131.57 53.28 Favored 'General case' 0 CA--C 1.511 -0.558 0 N-CA-C 107.239 -1.393 . . . . 42.740000000000002 107.239 173.557 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 . . . . . 0 C--O 1.242 0.704 0 N-CA-C 108.836 -0.801 . . . . 48.32 108.836 176.252 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.26 142.23 35.39 Favored 'General case' 0 CA--C 1.483 -1.613 0 N-CA-C 106.237 -1.764 . . . . 46.280000000000001 106.237 178.4 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.1 mm -96.98 134.1 35.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 105.653 -1.98 . . . . 49.579999999999998 105.653 167.379 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.6 mt -126.63 124.12 64.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 108.01 -1.107 . . . . 73.980000000000004 108.01 179.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -110.2 120.29 5.6 Favored Glycine 0 N--CA 1.443 -0.846 0 N-CA-C 108.778 -1.729 . . . . 30.289999999999999 108.778 175.105 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.1 mt -109.38 149.06 30.07 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 121.927 0.87 . . . . 50.890000000000001 109.987 -179.468 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 56.2 mtt -92.98 134.87 34.69 Favored 'General case' 0 N--CA 1.436 -1.137 0 CA-C-N 115.095 -0.957 . . . . 121.09999999999999 113.25 -177.557 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 65.8 t . . . . . 0 N--CA 1.47 0.572 0 N-CA-C 100.269 -3.974 . . . . 56.640000000000001 100.269 174.013 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -71.15 156.8 39.15 Favored 'General case' 0 C--N 1.37 1.482 0 N-CA-C 106.16 -1.793 . . . . 89.480000000000004 106.16 177.043 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 9.3 mt -121.99 129.68 52.67 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 108.373 -0.973 . . . . 60.280000000000001 108.373 179.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 38.3 t -111.99 134.5 54.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 O-C-N 123.867 0.729 . . . . 50.0 111.667 174.626 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' MEA . . . . . 0.447 ' HB2' ' HC3' ' B' ' 5' ' ' MEA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -132.91 150.56 52.15 Favored 'General case' 0 CA--C 1.508 -0.66 0 N-CA-C 107.094 -1.447 . . . . 41.57 107.094 179.054 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -125.47 127.37 46.38 Favored 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 108.688 -0.856 . . . . 52.380000000000003 108.688 174.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.321 -0.637 0 C-N-CA 117.758 -1.577 . . . . 121.27 109.604 163.121 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' ORN . . . . . 0.688 ' O ' ' O ' ' B' ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -148.59 153.4 38.3 Favored 'General case' 0 C--N 1.367 1.355 0 C-N-CA 119.269 -0.972 . . . . 60.899999999999999 109.931 179.594 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 50.1 mt -101.33 140.95 18.76 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.503 0 N-CA-C 107.352 -1.351 . . . . 66.269999999999996 107.352 176.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 3.9 mt -124.79 132.78 70.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 N-CA-C 107.814 -1.18 . . . . 100.36 107.814 176.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -113.16 124.62 6.66 Favored Glycine 0 C--N 1.333 0.385 0 N-CA-C 107.501 -2.24 . . . . 38.759999999999998 107.501 174.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 96.6 mt -116.14 141.5 48.06 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 107.714 -1.217 . . . . 46.729999999999997 107.714 -174.878 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 30.0 mtt -92.14 144.17 25.69 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-O 121.911 0.862 . . . . 126.61 110.247 -174.335 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 94.6 t . . . . . 0 C--N 1.321 -0.635 0 N-CA-C 103.364 -2.828 . . . . 55.32 103.364 176.981 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' LYS . . . . . 0.402 ' NZ ' ' O ' ' C' ' 103' ' ' HOH . 7.8 mtpp -75.53 148.7 38.72 Favored 'General case' 0 C--N 1.378 1.844 0 N-CA-C 106.056 -1.831 . . . . 90.189999999999998 106.056 173.443 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 21.9 tp -113.17 127.29 56.14 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 108.05 -1.092 . . . . 41.859999999999999 108.05 177.369 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' VAL . . . . . 0.4 ' HA ' ' HC1' ' C' ' 5' ' ' MEA . 45.2 t -115.28 126.59 72.89 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 CA-C-O 117.508 -1.234 . . . . 47.450000000000003 107.941 -176.355 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' MEA . . . . . 0.406 ' HC2' ' HB2' ' C' ' 5' ' ' MEA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -132.1 146.5 52.09 Favored 'General case' 0 CA--C 1.499 -0.998 0 N-CA-C 107.239 -1.393 . . . . 56.119999999999997 107.239 -178.475 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -108.78 121.79 45.8 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 106.498 -1.668 . . . . 49.469999999999999 106.498 170.799 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 27.0 tp10 . . . . . 0 C--O 1.245 0.854 0 N-CA-C 108.199 -1.037 . . . . 83.260000000000005 108.199 -173.818 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' ALA . . . . . . . . . . . . . . . -131.87 160.36 35.92 Favored 'General case' 0 CA--C 1.484 -1.563 0 CA-C-N 114.433 -1.258 . . . . 44.079999999999998 109.255 -179.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 92.7 mt -102.15 133.19 46.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 106.169 -1.789 . . . . 72.879999999999995 106.169 171.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 48.3 mt -122.46 123.65 69.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 107.654 -1.239 . . . . 60.719999999999999 107.654 178.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.16 123.6 7.34 Favored Glycine 0 N--CA 1.44 -1.059 0 N-CA-C 106.676 -2.57 . . . . 30.859999999999999 106.676 175.013 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 73.7 mt -117.69 152.61 34.88 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 107.496 -1.298 . . . . 46.840000000000003 107.496 -176.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' MET . . . . . . . . . . . . . 62.2 mtt -112.58 156.36 22.81 Favored 'General case' 0 C--O 1.22 -0.481 0 N-CA-C 114.75 1.389 . . . . 77.799999999999997 114.75 -170.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 9.7 t . . . . . 0 N--CA 1.47 0.537 1 C-N-CA 133.592 4.757 . . . . 65.090000000000003 103.396 173.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' HOH . . . . . 0.688 ' O ' ' O ' ' B' ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 orig full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 103' ' ' HOH . . . . . 0.402 ' O ' ' NZ ' ' C' ' 2' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -80.66 149.52 29.76 Favored 'General case' 0 N--CA 1.429 -1.508 0 N-CA-C 107.343 -1.355 . . . . 78.989999999999995 107.343 176.639 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 61.3 mt -105.59 125.89 51.51 Favored 'General case' 0 CA--C 1.509 -0.606 0 N-CA-C 108.311 -0.996 . . . . 38.700000000000003 108.311 173.41 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 87.8 t -107.2 127.65 62.78 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.689 0 N-CA-C 106.782 -1.562 . . . . 38.740000000000002 106.782 177.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' MEA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -133.61 154.7 50.69 Favored 'General case' 0 C--O 1.255 1.347 0 N-CA-C 106.396 -1.705 . . . . 38.060000000000002 106.396 175.647 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -125.1 131.57 53.28 Favored 'General case' 0 CA--C 1.511 -0.558 0 N-CA-C 107.239 -1.393 . . . . 35.619999999999997 107.239 173.557 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 . . . . . 0 C--O 1.242 0.704 0 N-CA-C 108.836 -0.801 . . . . 43.039999999999999 108.836 176.252 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.26 142.23 35.39 Favored 'General case' 0 CA--C 1.483 -1.613 0 N-CA-C 106.237 -1.764 . . . . 38.57 106.237 178.4 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.1 mm -96.98 134.1 35.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 105.653 -1.98 . . . . 41.310000000000002 105.653 167.379 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.6 mt -126.63 124.12 64.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 108.01 -1.107 . . . . 61.649999999999999 108.01 179.863 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -110.2 120.29 5.6 Favored Glycine 0 N--CA 1.443 -0.846 0 N-CA-C 108.778 -1.729 . . . . 28.66 108.778 175.105 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.1 mt -109.38 149.06 30.07 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 121.927 0.87 . . . . 42.409999999999997 109.987 -179.468 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 56.2 mtt -92.98 134.87 34.69 Favored 'General case' 0 N--CA 1.436 -1.137 0 CA-C-N 115.095 -0.957 . . . . 100.92 113.25 -177.557 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 65.8 t . . . . . 0 N--CA 1.47 0.572 0 N-CA-C 100.269 -3.974 . . . . 47.200000000000003 100.269 174.013 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -71.15 156.8 39.15 Favored 'General case' 0 C--N 1.37 1.482 0 N-CA-C 106.16 -1.793 . . . . 74.569999999999993 106.16 177.043 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 9.3 mt -121.99 129.68 52.67 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 108.373 -0.973 . . . . 50.240000000000002 108.373 179.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' VAL . . . . . 0.408 ' HA ' ' HC1' ' B' ' 5' ' ' MEA . 38.3 t -111.99 134.5 54.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 O-C-N 123.867 0.729 . . . . 41.659999999999997 111.667 174.626 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 5' ' ' MEA . . . . . 0.606 ' O ' ' HC3' ' B' ' 5' ' ' MEA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -132.91 150.56 52.15 Favored 'General case' 0 CA--C 1.508 -0.66 0 N-CA-C 107.094 -1.447 . . . . 34.840000000000003 107.094 179.054 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -125.47 127.37 46.38 Favored 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 108.688 -0.856 . . . . 45.399999999999999 108.688 174.627 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.321 -0.637 0 C-N-CA 117.758 -1.577 . . . . 105.12 109.604 163.121 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' ORN . . . . . 0.688 ' O ' ' O ' ' B' ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -148.59 153.4 38.3 Favored 'General case' 0 C--N 1.367 1.355 0 C-N-CA 119.269 -0.972 . . . . 50.75 109.931 179.594 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 50.1 mt -101.33 140.95 18.76 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.503 0 N-CA-C 107.352 -1.351 . . . . 55.219999999999999 107.352 176.376 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 3.9 mt -124.79 132.78 70.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 N-CA-C 107.814 -1.18 . . . . 83.629999999999995 107.814 176.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -113.16 124.62 6.66 Favored Glycine 0 C--N 1.333 0.385 0 N-CA-C 107.501 -2.24 . . . . 32.450000000000003 107.501 174.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 96.6 mt -116.14 141.5 48.06 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 107.714 -1.217 . . . . 38.939999999999998 107.714 -174.878 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 30.0 mtt -92.14 144.17 25.69 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-O 121.911 0.862 . . . . 105.51000000000001 110.247 -174.335 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 94.6 t . . . . . 0 C--N 1.321 -0.635 0 N-CA-C 103.364 -2.828 . . . . 48.859999999999999 103.364 176.981 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 2' ' ' LYS . . . . . 0.402 ' NZ ' ' O ' ' C' ' 103' ' ' HOH . 7.8 mtpp -75.53 148.7 38.72 Favored 'General case' 0 C--N 1.378 1.844 0 N-CA-C 106.056 -1.831 . . . . 75.159999999999997 106.056 173.443 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 21.9 tp -113.17 127.29 56.14 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 108.05 -1.092 . . . . 34.880000000000003 108.05 177.369 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 4' ' ' VAL . . . . . 0.423 ' HA ' ' HC1' ' C' ' 5' ' ' MEA . 45.2 t -115.28 126.59 72.89 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 CA-C-O 117.508 -1.234 . . . . 39.549999999999997 107.941 -176.355 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 5' ' ' MEA . . . . . 0.53 ' HC3' ' O ' ' C' ' 5' ' ' MEA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -132.1 146.5 52.09 Favored 'General case' 0 CA--C 1.499 -0.998 0 N-CA-C 107.239 -1.393 . . . . 46.759999999999998 107.239 -178.475 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -108.78 121.79 45.8 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 106.498 -1.668 . . . . 41.229999999999997 106.498 170.799 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 27.0 tp10 . . . . . 0 C--O 1.245 0.854 0 N-CA-C 108.199 -1.037 . . . . 78.0 108.199 -173.818 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 10' ' ' ALA . . . . . . . . . . . . . . . -131.87 160.36 35.92 Favored 'General case' 0 CA--C 1.484 -1.563 0 CA-C-N 114.433 -1.258 . . . . 36.740000000000002 109.255 -179.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 92.7 mt -102.15 133.19 46.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 106.169 -1.789 . . . . 60.729999999999997 106.169 171.936 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 48.3 mt -122.46 123.65 69.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 107.654 -1.239 . . . . 50.600000000000001 107.654 178.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.16 123.6 7.34 Favored Glycine 0 N--CA 1.44 -1.059 0 N-CA-C 106.676 -2.57 . . . . 30.289999999999999 106.676 175.013 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 73.7 mt -117.69 152.61 34.88 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 107.496 -1.298 . . . . 39.030000000000001 107.496 -176.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 15' ' ' MET . . . . . . . . . . . . . 62.2 mtt -112.58 156.36 22.81 Favored 'General case' 0 C--O 1.22 -0.481 0 N-CA-C 114.75 1.389 . . . . 64.840000000000003 114.75 -170.426 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 9.7 t . . . . . 0 N--CA 1.47 0.537 1 C-N-CA 133.592 4.757 . . . . 54.240000000000002 103.396 173.439 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' HOH . . . . . 0.688 ' O ' ' O ' ' B' ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 build full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 103' ' ' HOH . . . . . 0.402 ' O ' ' NZ ' ' C' ' 2' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -80.66 149.52 29.76 Favored 'General case' 0 N--CA 1.429 -1.508 0 N-CA-C 107.343 -1.355 . . . . 78.989999999999995 107.343 176.639 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 61.3 mt -105.59 125.89 51.51 Favored 'General case' 0 CA--C 1.509 -0.606 0 N-CA-C 108.311 -0.996 . . . . 38.700000000000003 108.311 173.41 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 87.8 t -107.2 127.65 62.78 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.689 0 N-CA-C 106.782 -1.562 . . . . 38.740000000000002 106.782 177.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' MEA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -133.61 154.7 50.69 Favored 'General case' 0 C--O 1.255 1.347 0 N-CA-C 106.396 -1.705 . . . . 38.060000000000002 106.396 175.647 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -125.1 131.57 53.28 Favored 'General case' 0 CA--C 1.511 -0.558 0 N-CA-C 107.239 -1.393 . . . . 35.619999999999997 107.239 173.557 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 . . . . . 0 C--O 1.242 0.704 0 N-CA-C 108.836 -0.801 . . . . 43.039999999999999 108.836 176.252 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.26 142.23 35.39 Favored 'General case' 0 CA--C 1.483 -1.613 0 N-CA-C 106.237 -1.764 . . . . 38.57 106.237 178.4 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.1 mm -96.98 134.1 35.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 105.653 -1.98 . . . . 41.310000000000002 105.653 167.379 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.6 mt -126.63 124.12 64.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 108.01 -1.107 . . . . 61.649999999999999 108.01 179.863 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -110.2 120.29 5.6 Favored Glycine 0 N--CA 1.443 -0.846 0 N-CA-C 108.778 -1.729 . . . . 28.66 108.778 175.105 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.1 mt -109.38 149.06 30.07 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 121.927 0.87 . . . . 42.409999999999997 109.987 -179.468 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 56.2 mtt -92.98 134.87 34.69 Favored 'General case' 0 N--CA 1.436 -1.137 0 CA-C-N 115.095 -0.957 . . . . 100.92 113.25 -177.557 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 65.8 t . . . . . 0 N--CA 1.47 0.572 0 N-CA-C 100.269 -3.974 . . . . 47.200000000000003 100.269 174.013 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -71.15 156.8 39.15 Favored 'General case' 0 C--N 1.37 1.482 0 N-CA-C 106.16 -1.793 . . . . 74.569999999999993 106.16 177.043 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 9.3 mt -121.99 129.68 52.67 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 108.373 -0.973 . . . . 50.240000000000002 108.373 179.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.408 ' HA ' ' HC1' ' B' ' 5' ' ' MEA . 38.3 t -111.99 134.5 54.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 O-C-N 123.867 0.729 . . . . 41.659999999999997 111.667 174.626 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' MEA . . . . . 0.606 ' O ' ' HC3' ' B' ' 5' ' ' MEA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -132.91 150.56 52.15 Favored 'General case' 0 CA--C 1.508 -0.66 0 N-CA-C 107.094 -1.447 . . . . 34.840000000000003 107.094 179.054 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -125.47 127.37 46.38 Favored 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 108.688 -0.856 . . . . 45.399999999999999 108.688 174.627 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.321 -0.637 0 C-N-CA 117.758 -1.577 . . . . 105.12 109.604 163.121 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' ORN . . . . . 0.688 ' O ' ' O ' ' B' ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -148.59 153.4 38.3 Favored 'General case' 0 C--N 1.367 1.355 0 C-N-CA 119.269 -0.972 . . . . 50.75 109.931 179.594 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 50.1 mt -101.33 140.95 18.76 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.503 0 N-CA-C 107.352 -1.351 . . . . 55.219999999999999 107.352 176.376 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 3.9 mt -124.79 132.78 70.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 N-CA-C 107.814 -1.18 . . . . 83.629999999999995 107.814 176.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -113.16 124.62 6.66 Favored Glycine 0 C--N 1.333 0.385 0 N-CA-C 107.501 -2.24 . . . . 32.450000000000003 107.501 174.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 96.6 mt -116.14 141.5 48.06 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 107.714 -1.217 . . . . 38.939999999999998 107.714 -174.878 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 30.0 mtt -92.14 144.17 25.69 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-O 121.911 0.862 . . . . 105.51000000000001 110.247 -174.335 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 94.6 t . . . . . 0 C--N 1.321 -0.635 0 N-CA-C 103.364 -2.828 . . . . 48.859999999999999 103.364 176.981 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' LYS . . . . . 0.402 ' NZ ' ' O ' ' C' ' 103' ' ' HOH . 7.8 mtpp -75.53 148.7 38.72 Favored 'General case' 0 C--N 1.378 1.844 0 N-CA-C 106.056 -1.831 . . . . 75.159999999999997 106.056 173.443 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 21.9 tp -113.17 127.29 56.14 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 108.05 -1.092 . . . . 34.880000000000003 108.05 177.369 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' VAL . . . . . 0.423 ' HA ' ' HC1' ' C' ' 5' ' ' MEA . 45.2 t -115.28 126.59 72.89 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 CA-C-O 117.508 -1.234 . . . . 39.549999999999997 107.941 -176.355 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' MEA . . . . . 0.53 ' HC3' ' O ' ' C' ' 5' ' ' MEA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -132.1 146.5 52.09 Favored 'General case' 0 CA--C 1.499 -0.998 0 N-CA-C 107.239 -1.393 . . . . 46.759999999999998 107.239 -178.475 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -108.78 121.79 45.8 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 106.498 -1.668 . . . . 41.229999999999997 106.498 170.799 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 27.0 tp10 . . . . . 0 C--O 1.245 0.854 0 N-CA-C 108.199 -1.037 . . . . 78.0 108.199 -173.818 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' ALA . . . . . . . . . . . . . . . -131.87 160.36 35.92 Favored 'General case' 0 CA--C 1.484 -1.563 0 CA-C-N 114.433 -1.258 . . . . 36.740000000000002 109.255 -179.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 92.7 mt -102.15 133.19 46.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 106.169 -1.789 . . . . 60.729999999999997 106.169 171.936 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 48.3 mt -122.46 123.65 69.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 107.654 -1.239 . . . . 50.600000000000001 107.654 178.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.16 123.6 7.34 Favored Glycine 0 N--CA 1.44 -1.059 0 N-CA-C 106.676 -2.57 . . . . 30.289999999999999 106.676 175.013 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 73.7 mt -117.69 152.61 34.88 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 107.496 -1.298 . . . . 39.030000000000001 107.496 -176.388 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' MET . . . . . . . . . . . . . 62.2 mtt -112.58 156.36 22.81 Favored 'General case' 0 C--O 1.22 -0.481 0 N-CA-C 114.75 1.389 . . . . 64.840000000000003 114.75 -170.426 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 9.7 t . . . . . 0 N--CA 1.47 0.537 1 C-N-CA 133.592 4.757 . . . . 54.240000000000002 103.396 173.439 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' HOH . . . . . 0.688 ' O ' ' O ' ' B' ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . 001 ecloud nobuild full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 103' ' ' HOH . . . . . 0.402 ' O ' ' NZ ' ' C' ' 2' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_