data_2ona_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 2ona _Structure_validation_residue.Date_analyzed 2016-10-12 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' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.484 1.245 0 N-CA-C 108.891 -0.781 . . . . 25.190000000000001 108.891 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 47.0 t -137.37 140.44 41.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 107.84 -1.17 . . . . 17.469999999999999 107.84 179.614 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -165.44 155.39 26.7 Favored Glycine 0 C--O 1.235 0.218 0 N-CA-C 115.014 0.765 . . . . 13.35 115.014 -177.491 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.02 145.39 14.38 Favored Glycine 0 C--O 1.239 0.45 0 CA-C-N 115.14 -0.53 . . . . 13.91 112.175 179.208 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.4 t -134.25 123.76 44.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 122.458 0.303 . . . . 18.359999999999999 111.242 175.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.2 t . . . . . 0 CA--C 1.514 -0.416 0 N-CA-C 107.756 -1.202 . . . . 19.859999999999999 107.756 175.169 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ttm . . . . . 0 N--CA 1.496 1.853 0 N-CA-C 109.382 -0.599 . . . . 20.719999999999999 109.382 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.7 t -136.56 138.77 46.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 123.881 0.873 . . . . 15.73 110.857 179.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -144.88 136.46 6.62 Favored Glycine 0 N--CA 1.475 1.268 0 N-CA-C 109.995 -1.242 . . . . 13.949999999999999 109.995 177.068 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.53 163.26 33.43 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 117.169 1.628 . . . . 13.859999999999999 117.169 -177.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 2.4 t -135.54 127.71 46.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 C-N-CA 123.994 0.918 . . . . 15.49 109.657 -178.728 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 63.4 t . . . . . 0 C--N 1.326 -0.435 0 N-CA-C 108.818 -0.808 . . . . 19.0 108.818 176.801 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 25.2 mtp . . . . . 0 N--CA 1.492 1.66 0 N-CA-C 108.859 -0.793 . . . . 23.510000000000002 108.859 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 71.9 t -136.85 134.61 48.45 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.419 0 N-CA-C 107.84 -1.17 . . . . 15.449999999999999 107.84 177.799 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' GLY . . . . . . . . . . . . . . . -148.83 151.62 23.77 Favored Glycine 0 N--CA 1.462 0.377 0 O-C-N 123.656 0.597 . . . . 12.470000000000001 111.626 179.455 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.83 159.17 30.05 Favored Glycine 0 N--CA 1.464 0.545 0 N-CA-C 114.356 0.503 . . . . 13.710000000000001 114.356 178.679 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 8.3 t -141.54 137.17 32.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 108.25 -1.018 . . . . 14.539999999999999 108.25 177.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' VAL . . . . . . . . . . . . . 86.2 t . . . . . 0 N--CA 1.474 0.754 0 CA-C-O 121.954 0.883 . . . . 22.530000000000001 111.503 176.755 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 19.0 mtp . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 112.488 0.551 . . . . 19.350000000000001 112.488 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 2' ' ' VAL . . . . . . . . . . . . . 76.1 t -134.44 135.36 54.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 O-C-N 123.566 0.541 . . . . 14.33 110.364 -179.408 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 3' ' ' GLY . . . . . . . . . . . . . . . -148.51 161.32 28.62 Favored Glycine 0 C--N 1.334 0.438 0 N-CA-C 114.28 0.472 . . . . 13.93 114.28 -179.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.94 157.87 28.36 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 114.268 0.467 . . . . 13.390000000000001 114.268 176.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 23.6 t -137.62 132.23 44.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 105.701 -1.962 . . . . 17.0 105.701 175.668 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 6' ' ' VAL . . . . . . . . . . . . . 44.2 t . . . . . 0 C--O 1.238 0.453 0 N-CA-C 109.674 -0.491 . . . . 21.440000000000001 109.674 -178.936 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.484 1.245 0 N-CA-C 108.891 -0.781 . . . . 25.19 108.891 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' VAL . . . . . 0.513 HG22 HG13 ' B' ' 5' ' ' VAL . 47.0 t -137.37 140.44 41.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 107.84 -1.17 . . . . 17.47 107.84 179.614 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -165.44 155.39 26.7 Favored Glycine 0 C--O 1.235 0.218 0 N-CA-C 115.014 0.765 . . . . 13.35 115.014 -177.491 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.02 145.39 14.38 Favored Glycine 0 C--O 1.239 0.45 0 CA-C-N 115.14 -0.53 . . . . 13.91 112.175 179.208 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.4 t -134.25 123.76 44.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 122.458 0.303 . . . . 18.36 111.242 175.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' VAL . . . . . 1.091 HG22 HG13 ' C' ' 2' ' ' VAL . 6.2 t . . . . . 0 CA--C 1.514 -0.416 0 N-CA-C 107.756 -1.202 . . . . 19.86 107.756 175.169 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ttm . . . . . 0 N--CA 1.496 1.853 0 N-CA-C 109.382 -0.599 . . . . 20.72 109.382 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.7 t -136.56 138.77 46.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 123.881 0.873 . . . . 15.73 110.857 179.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -144.88 136.46 6.62 Favored Glycine 0 N--CA 1.475 1.268 0 N-CA-C 109.995 -1.242 . . . . 13.95 109.995 177.068 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.53 163.26 33.43 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 117.169 1.628 . . . . 13.86 117.169 -177.538 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' VAL . . . . . 0.513 HG13 HG22 ' A' ' 2' ' ' VAL . 2.4 t -135.54 127.71 46.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 C-N-CA 123.994 0.918 . . . . 15.49 109.657 -178.728 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 63.4 t . . . . . 0 C--N 1.326 -0.435 0 N-CA-C 108.818 -0.808 . . . . 19.0 108.818 176.801 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 25.2 mtp . . . . . 0 N--CA 1.492 1.66 0 N-CA-C 108.859 -0.793 . . . . 23.51 108.859 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 2' ' ' VAL . . . . . 1.091 HG13 HG22 ' A' ' 6' ' ' VAL . 71.9 t -136.85 134.61 48.45 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.419 0 N-CA-C 107.84 -1.17 . . . . 15.45 107.84 177.799 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 3' ' ' GLY . . . . . . . . . . . . . . . -148.83 151.62 23.77 Favored Glycine 0 N--CA 1.462 0.377 0 O-C-N 123.656 0.597 . . . . 12.47 111.626 179.455 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.83 159.17 30.05 Favored Glycine 0 N--CA 1.464 0.545 0 N-CA-C 114.356 0.503 . . . . 13.71 114.356 178.679 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 8.3 t -141.54 137.17 32.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 108.25 -1.018 . . . . 14.54 108.25 177.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 6' ' ' VAL . . . . . 0.684 HG22 ' HG2' ' D' ' 1' ' ' MET . 86.2 t . . . . . 0 N--CA 1.474 0.754 0 CA-C-O 121.954 0.883 . . . . 22.53 111.503 176.755 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 1' ' ' MET . . . . . 0.684 ' HG2' HG22 ' C' ' 6' ' ' VAL . 19.0 mtp . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 112.488 0.551 . . . . 19.35 112.488 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 2' ' ' VAL . . . . . . . . . . . . . 76.1 t -134.44 135.36 54.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 O-C-N 123.566 0.541 . . . . 14.33 110.364 -179.408 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 3' ' ' GLY . . . . . . . . . . . . . . . -148.51 161.32 28.62 Favored Glycine 0 C--N 1.334 0.438 0 N-CA-C 114.28 0.472 . . . . 13.93 114.28 -179.686 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.94 157.87 28.36 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 114.268 0.467 . . . . 13.39 114.268 176.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 23.6 t -137.62 132.23 44.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 105.701 -1.962 . . . . 17.0 105.701 175.668 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 6' ' ' VAL . . . . . . . . . . . . . 44.2 t . . . . . 0 C--O 1.238 0.453 0 N-CA-C 109.674 -0.491 . . . . 21.44 109.674 -178.936 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.484 1.245 0 N-CA-C 108.891 -0.781 . . . . 25.19 108.891 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.513 HG22 HG13 ' B' ' 5' ' ' VAL . 47.0 t -137.37 140.44 41.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 107.84 -1.17 . . . . 17.47 107.84 179.614 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -165.44 155.39 26.7 Favored Glycine 0 C--O 1.235 0.218 0 N-CA-C 115.014 0.765 . . . . 13.35 115.014 -177.491 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.02 145.39 14.38 Favored Glycine 0 C--O 1.239 0.45 0 CA-C-N 115.14 -0.53 . . . . 13.91 112.175 179.208 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.4 t -134.25 123.76 44.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 122.458 0.303 . . . . 18.36 111.242 175.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' VAL . . . . . 1.091 HG22 HG13 ' C' ' 2' ' ' VAL . 6.2 t . . . . . 0 CA--C 1.514 -0.416 0 N-CA-C 107.756 -1.202 . . . . 19.86 107.756 175.169 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ttm . . . . . 0 N--CA 1.496 1.853 0 N-CA-C 109.382 -0.599 . . . . 20.72 109.382 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.7 t -136.56 138.77 46.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 123.881 0.873 . . . . 15.73 110.857 179.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -144.88 136.46 6.62 Favored Glycine 0 N--CA 1.475 1.268 0 N-CA-C 109.995 -1.242 . . . . 13.95 109.995 177.068 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.53 163.26 33.43 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 117.169 1.628 . . . . 13.86 117.169 -177.538 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.513 HG13 HG22 ' A' ' 2' ' ' VAL . 2.4 t -135.54 127.71 46.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 C-N-CA 123.994 0.918 . . . . 15.49 109.657 -178.728 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 63.4 t . . . . . 0 C--N 1.326 -0.435 0 N-CA-C 108.818 -0.808 . . . . 19.0 108.818 176.801 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 25.2 mtp . . . . . 0 N--CA 1.492 1.66 0 N-CA-C 108.859 -0.793 . . . . 23.51 108.859 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' VAL . . . . . 1.091 HG13 HG22 ' A' ' 6' ' ' VAL . 71.9 t -136.85 134.61 48.45 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.419 0 N-CA-C 107.84 -1.17 . . . . 15.45 107.84 177.799 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' GLY . . . . . . . . . . . . . . . -148.83 151.62 23.77 Favored Glycine 0 N--CA 1.462 0.377 0 O-C-N 123.656 0.597 . . . . 12.47 111.626 179.455 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.83 159.17 30.05 Favored Glycine 0 N--CA 1.464 0.545 0 N-CA-C 114.356 0.503 . . . . 13.71 114.356 178.679 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 8.3 t -141.54 137.17 32.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 108.25 -1.018 . . . . 14.54 108.25 177.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' VAL . . . . . 0.684 HG22 ' HG2' ' D' ' 1' ' ' MET . 86.2 t . . . . . 0 N--CA 1.474 0.754 0 CA-C-O 121.954 0.883 . . . . 22.53 111.503 176.755 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 1' ' ' MET . . . . . 0.684 ' HG2' HG22 ' C' ' 6' ' ' VAL . 19.0 mtp . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 112.488 0.551 . . . . 19.35 112.488 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 2' ' ' VAL . . . . . . . . . . . . . 76.1 t -134.44 135.36 54.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 O-C-N 123.566 0.541 . . . . 14.33 110.364 -179.408 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 3' ' ' GLY . . . . . . . . . . . . . . . -148.51 161.32 28.62 Favored Glycine 0 C--N 1.334 0.438 0 N-CA-C 114.28 0.472 . . . . 13.93 114.28 -179.686 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.94 157.87 28.36 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 114.268 0.467 . . . . 13.39 114.268 176.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 23.6 t -137.62 132.23 44.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 105.701 -1.962 . . . . 17.0 105.701 175.668 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 6' ' ' VAL . . . . . . . . . . . . . 44.2 t . . . . . 0 C--O 1.238 0.453 0 N-CA-C 109.674 -0.491 . . . . 21.44 109.674 -178.936 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_