data_3sgm_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 3sgm _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' ' ' LYS . . . . . . . . . . . . . 39.3 tttt . . . . . 0 C--O 1.211 -0.922 0 N-CA-C 107.727 -1.212 . . . . 37.5 107.727 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' A8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.0 mmmt -103.83 171.54 7.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.543 -0.723 . . . . 28.57 109.901 175.136 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 58.8 t -126.08 136.97 59.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 122.062 -0.398 . . . . 16.739999999999998 110.162 178.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 48.8 tp -131.7 126.41 34.48 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 106.013 -1.847 . . . . 16.43 106.013 173.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -152.11 179.88 28.29 Favored Glycine 0 C--O 1.251 1.157 0 C-N-CA 119.601 -1.285 . . . . 12.380000000000001 113.84 -172.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -125.58 157.77 36.31 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-N 114.305 -0.947 . . . . 24.370000000000001 110.307 -178.506 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.9 t -107.33 130.46 59.47 Favored 'Isoleucine or valine' 0 C--O 1.246 0.917 0 N-CA-C 107.797 -1.186 . . . . 15.359999999999999 107.797 174.425 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.1 pt -130.21 160.43 41.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.121 -0.631 . . . . 21.539999999999999 110.245 176.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -97.97 127.62 44.03 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 108.561 -0.903 . . . . 36.240000000000002 108.561 175.137 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.9 m . . . . . 0 C--N 1.32 -0.711 0 CA-C-O 122.0 0.905 . . . . 21.129999999999999 111.124 178.33 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 54.1 pttt . . . . . 0 C--O 1.239 0.526 0 N-CA-C 112.025 0.38 . . . . 30.449999999999999 112.025 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' A8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 41.8 tptt -129.99 147.85 51.79 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 107.591 -1.262 . . . . 16.859999999999999 107.591 179.661 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 73.7 t -105.54 130.98 56.02 Favored 'Isoleucine or valine' 0 C--O 1.25 1.102 0 N-CA-C 109.577 -0.527 . . . . 11.66 109.577 -179.408 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 8.3 mp -125.71 132.27 52.41 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 108.273 -1.01 . . . . 21.210000000000001 108.273 174.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -163.07 -169.87 27.13 Favored Glycine 0 N--CA 1.439 -1.153 0 C-N-CA 118.075 -2.012 . . . . 14.140000000000001 114.669 -173.014 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -128.66 148.25 50.8 Favored 'General case' 0 CA--C 1.499 -0.998 0 CA-C-N 114.345 -0.927 . . . . 23.210000000000001 110.621 -177.162 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 56.8 t -87.55 132.47 32.72 Favored 'Isoleucine or valine' 0 C--O 1.249 1.059 0 N-CA-C 108.237 -1.023 . . . . 14.050000000000001 108.237 166.406 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 91.9 mt -127.15 133.6 67.86 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 N-CA-C 108.783 -0.821 . . . . 24.27 108.783 -179.183 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -78.16 125.06 28.8 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.073 0.463 . . . . 31.309999999999999 111.782 173.684 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 16.8 t . . . . . 0 CA--C 1.515 -0.387 0 N-CA-C 108.805 -0.813 . . . . 34.240000000000002 108.805 -174.0 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 39.9 pttt . . . . . 0 CA--C 1.518 -0.277 0 N-CA-C 107.826 -1.176 . . . . 39.530000000000001 107.826 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' A8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 32.2 tptt -116.86 151.23 37.01 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 108.282 -1.007 . . . . 23.640000000000001 108.282 -178.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 59.6 t -112.92 130.0 67.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.728 -0.471 . . . . 14.800000000000001 109.728 179.081 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 mp -116.88 142.22 47.22 Favored 'General case' 0 CA--C 1.494 -1.183 0 N-CA-C 108.757 -0.831 . . . . 24.670000000000002 108.757 170.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' GLY . . . . . . . . . . . . . . . -170.73 -174.89 39.0 Favored Glycine 0 CA--C 1.498 -0.987 0 C-N-CA 116.329 -2.843 . . . . 13.35 114.067 -177.557 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -119.64 149.26 42.26 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.042 -1.079 . . . . 26.48 110.226 179.441 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 47.6 t -89.01 134.56 28.11 Favored 'Isoleucine or valine' 0 C--O 1.25 1.104 0 N-CA-C 108.068 -1.086 . . . . 13.220000000000001 108.068 164.031 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' ILE . . . . . . . . . . . . . 50.6 mt -129.3 147.07 33.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.466 -0.788 . . . . 19.300000000000001 109.568 -179.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -91.91 124.74 36.25 Favored 'General case' 0 C--O 1.246 0.916 0 N-CA-C 109.088 -0.708 . . . . 35.340000000000003 109.088 178.027 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 20.6 m . . . . . 0 C--N 1.326 -0.437 0 CA-C-N 115.922 -0.581 . . . . 25.510000000000002 111.187 174.752 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt . . . . . 0 C--O 1.214 -0.814 0 N-CA-C 109.058 -0.719 . . . . 35.030000000000001 109.058 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 2' ' ' A8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -114.64 172.88 6.76 Favored 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 108.327 -0.99 . . . . 25.18 108.327 176.404 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 52.9 t -124.44 136.97 58.83 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.763 0 N-CA-C 110.158 -0.312 . . . . 17.73 110.158 -177.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 45.1 tp -130.01 121.27 26.16 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 106.535 -1.654 . . . . 20.73 106.535 172.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 6' ' ' GLY . . . . . . . . . . . . . . . -147.81 -178.12 22.76 Favored Glycine 0 CA--C 1.506 -0.5 0 C-N-CA 119.657 -1.259 . . . . 12.550000000000001 115.145 -171.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -132.27 151.37 51.86 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.726 -0.737 . . . . 28.640000000000001 109.59 -178.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 78.2 t -97.44 132.37 42.27 Favored 'Isoleucine or valine' 0 C--O 1.244 0.765 0 N-CA-C 107.192 -1.41 . . . . 20.140000000000001 107.192 175.618 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 9' ' ' ILE . . . . . . . . . . . . . 65.2 mt -128.67 157.78 41.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.406 -0.816 . . . . 31.539999999999999 109.105 173.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -93.48 133.9 36.29 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 119.641 -0.824 . . . . 41.890000000000001 111.505 171.298 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 26.5 m . . . . . 0 CA--C 1.514 -0.423 0 C-N-CA 119.754 -0.778 . . . . 38.75 109.163 173.071 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' MPD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 17' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 19' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 39.3 tttt . . . . . 0 C--O 1.211 -0.922 0 N-CA-C 107.727 -1.212 . . . . 37.5 107.727 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' A8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.0 mmmt -103.83 171.54 7.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.543 -0.723 . . . . 28.57 109.901 175.136 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 58.8 t -126.08 136.97 59.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 122.062 -0.398 . . . . 16.74 110.162 178.517 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 48.8 tp -131.7 126.41 34.48 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 106.013 -1.847 . . . . 16.43 106.013 173.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -152.11 179.88 28.29 Favored Glycine 0 C--O 1.251 1.157 0 C-N-CA 119.601 -1.285 . . . . 12.38 113.84 -172.288 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -125.58 157.77 36.31 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-N 114.305 -0.947 . . . . 24.37 110.307 -178.506 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.9 t -107.33 130.46 59.47 Favored 'Isoleucine or valine' 0 C--O 1.246 0.917 0 N-CA-C 107.797 -1.186 . . . . 15.36 107.797 174.425 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.1 pt -130.21 160.43 41.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.121 -0.631 . . . . 21.54 110.245 176.488 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -97.97 127.62 44.03 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 108.561 -0.903 . . . . 36.24 108.561 175.137 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.9 m . . . . . 0 C--N 1.32 -0.711 0 CA-C-O 122.0 0.905 . . . . 21.13 111.124 178.33 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 54.1 pttt . . . . . 0 C--O 1.239 0.526 0 N-CA-C 112.025 0.38 . . . . 30.45 112.025 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' A8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 41.8 tptt -129.99 147.85 51.79 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 107.591 -1.262 . . . . 16.86 107.591 179.661 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' VAL . . . . . 0.534 ' C ' HD12 ' B' ' 5' ' ' LEU . 73.7 t -105.54 130.98 56.02 Favored 'Isoleucine or valine' 0 C--O 1.25 1.102 0 N-CA-C 109.577 -0.527 . . . . 11.66 109.577 -179.408 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 5' ' ' LEU . . . . . 0.534 HD12 ' C ' ' B' ' 4' ' ' VAL . 8.3 mp -125.71 132.27 52.41 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 108.273 -1.01 . . . . 21.21 108.273 174.886 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -163.07 -169.87 27.13 Favored Glycine 0 N--CA 1.439 -1.153 0 C-N-CA 118.075 -2.012 . . . . 14.14 114.669 -173.014 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -128.66 148.25 50.8 Favored 'General case' 0 CA--C 1.499 -0.998 0 CA-C-N 114.345 -0.927 . . . . 23.21 110.621 -177.162 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 56.8 t -87.55 132.47 32.72 Favored 'Isoleucine or valine' 0 C--O 1.249 1.059 0 N-CA-C 108.237 -1.023 . . . . 14.05 108.237 166.406 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 91.9 mt -127.15 133.6 67.86 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 N-CA-C 108.783 -0.821 . . . . 24.27 108.783 -179.183 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -78.16 125.06 28.8 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.073 0.463 . . . . 31.31 111.782 173.684 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 16.8 t . . . . . 0 CA--C 1.515 -0.387 0 N-CA-C 108.805 -0.813 . . . . 34.24 108.805 -174.0 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 39.9 pttt . . . . . 0 CA--C 1.518 -0.277 0 N-CA-C 107.826 -1.176 . . . . 39.53 107.826 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 2' ' ' A8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 32.2 tptt -116.86 151.23 37.01 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 108.282 -1.007 . . . . 23.64 108.282 -178.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 59.6 t -112.92 130.0 67.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.728 -0.471 . . . . 14.8 109.728 179.081 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 5' ' ' LEU . . . . . 0.62 HD22 HD12 ' D' ' 9' ' ' ILE . 2.1 mp -116.88 142.22 47.22 Favored 'General case' 0 CA--C 1.494 -1.183 0 N-CA-C 108.757 -0.831 . . . . 24.67 108.757 170.902 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 6' ' ' GLY . . . . . . . . . . . . . . . -170.73 -174.89 39.0 Favored Glycine 0 CA--C 1.498 -0.987 0 C-N-CA 116.329 -2.843 . . . . 13.35 114.067 -177.557 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -119.64 149.26 42.26 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.042 -1.079 . . . . 26.48 110.226 179.441 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 47.6 t -89.01 134.56 28.11 Favored 'Isoleucine or valine' 0 C--O 1.25 1.104 0 N-CA-C 108.068 -1.086 . . . . 13.22 108.068 164.031 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 9' ' ' ILE . . . . . . . . . . . . . 50.6 mt -129.3 147.07 33.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.466 -0.788 . . . . 19.3 109.568 -179.656 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -91.91 124.74 36.25 Favored 'General case' 0 C--O 1.246 0.916 0 N-CA-C 109.088 -0.708 . . . . 35.34 109.088 178.027 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 20.6 m . . . . . 0 C--N 1.326 -0.437 0 CA-C-N 115.922 -0.581 . . . . 25.51 111.187 174.752 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 1' ' ' LYS . . . . . 0.769 ' HE2' ' HE2' ' D' ' 3' ' ' LYS . 42.3 mtpt . . . . . 0 C--O 1.214 -0.814 0 N-CA-C 109.058 -0.719 . . . . 35.03 109.058 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 2' ' ' A8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 3' ' ' LYS . . . . . 0.769 ' HE2' ' HE2' ' D' ' 1' ' ' LYS . 52.3 mmtt -114.64 172.88 6.76 Favored 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 108.327 -0.99 . . . . 25.18 108.327 176.404 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 52.9 t -124.44 136.97 58.83 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.763 0 N-CA-C 110.158 -0.312 . . . . 17.73 110.158 -177.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 45.1 tp -130.01 121.27 26.16 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 106.535 -1.654 . . . . 20.73 106.535 172.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 6' ' ' GLY . . . . . . . . . . . . . . . -147.81 -178.12 22.76 Favored Glycine 0 CA--C 1.506 -0.5 0 C-N-CA 119.657 -1.259 . . . . 12.55 115.145 -171.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -132.27 151.37 51.86 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.726 -0.737 . . . . 28.64 109.59 -178.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 78.2 t -97.44 132.37 42.27 Favored 'Isoleucine or valine' 0 C--O 1.244 0.765 0 N-CA-C 107.192 -1.41 . . . . 20.14 107.192 175.618 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 9' ' ' ILE . . . . . 0.62 HD12 HD22 ' C' ' 5' ' ' LEU . 65.2 mt -128.67 157.78 41.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.406 -0.816 . . . . 31.54 109.105 173.586 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 10' ' ' GLU . . . . . 0.457 ' N ' HG22 ' D' ' 9' ' ' ILE . 12.5 tt0 -93.48 133.9 36.29 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 119.641 -0.824 . . . . 41.89 111.505 171.298 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 26.5 m . . . . . 0 CA--C 1.514 -0.423 0 C-N-CA 119.754 -0.778 . . . . 38.75 109.163 173.071 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 12' ' ' MPD . . . . . 0.427 ' H13' ' O ' ' C' ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 17' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 20' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 15' ' ' HOH . . . . . 0.427 ' O ' ' H13' ' B' ' 12' ' ' MPD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 17' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 19' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 39.3 tttt . . . . . 0 C--O 1.211 -0.922 0 N-CA-C 107.727 -1.212 . . . . 37.5 107.727 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' A8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.0 mmmt -103.83 171.54 7.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.543 -0.723 . . . . 28.57 109.901 175.136 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 58.8 t -126.08 136.97 59.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 122.062 -0.398 . . . . 16.739999999999998 110.162 178.517 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 48.8 tp -131.7 126.41 34.48 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 106.013 -1.847 . . . . 16.43 106.013 173.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -152.11 179.88 28.29 Favored Glycine 0 C--O 1.251 1.157 0 C-N-CA 119.601 -1.285 . . . . 12.380000000000001 113.84 -172.288 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -125.58 157.77 36.31 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-N 114.305 -0.947 . . . . 24.370000000000001 110.307 -178.506 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.9 t -107.33 130.46 59.47 Favored 'Isoleucine or valine' 0 C--O 1.246 0.917 0 N-CA-C 107.797 -1.186 . . . . 15.359999999999999 107.797 174.425 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.1 pt -130.21 160.43 41.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.121 -0.631 . . . . 21.539999999999999 110.245 176.488 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -97.97 127.62 44.03 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 108.561 -0.903 . . . . 36.240000000000002 108.561 175.137 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.9 m . . . . . 0 C--N 1.32 -0.711 0 CA-C-O 122.0 0.905 . . . . 21.129999999999999 111.124 178.33 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 54.1 pttt . . . . . 0 C--O 1.239 0.526 0 N-CA-C 112.025 0.38 . . . . 30.449999999999999 112.025 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' A8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 41.8 tptt -129.99 147.85 51.79 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 107.591 -1.262 . . . . 16.859999999999999 107.591 179.661 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.534 ' C ' HD12 ' B' ' 5' ' ' LEU . 73.7 t -105.54 130.98 56.02 Favored 'Isoleucine or valine' 0 C--O 1.25 1.102 0 N-CA-C 109.577 -0.527 . . . . 11.66 109.577 -179.408 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.534 HD12 ' C ' ' B' ' 4' ' ' VAL . 8.3 mp -125.71 132.27 52.41 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 108.273 -1.01 . . . . 21.210000000000001 108.273 174.886 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -163.07 -169.87 27.13 Favored Glycine 0 N--CA 1.439 -1.153 0 C-N-CA 118.075 -2.012 . . . . 14.140000000000001 114.669 -173.014 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -128.66 148.25 50.8 Favored 'General case' 0 CA--C 1.499 -0.998 0 CA-C-N 114.345 -0.927 . . . . 23.210000000000001 110.621 -177.162 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 56.8 t -87.55 132.47 32.72 Favored 'Isoleucine or valine' 0 C--O 1.249 1.059 0 N-CA-C 108.237 -1.023 . . . . 14.050000000000001 108.237 166.406 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 91.9 mt -127.15 133.6 67.86 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 N-CA-C 108.783 -0.821 . . . . 24.27 108.783 -179.183 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -78.16 125.06 28.8 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.073 0.463 . . . . 31.309999999999999 111.782 173.684 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 16.8 t . . . . . 0 CA--C 1.515 -0.387 0 N-CA-C 108.805 -0.813 . . . . 34.240000000000002 108.805 -174.0 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 39.9 pttt . . . . . 0 CA--C 1.518 -0.277 0 N-CA-C 107.826 -1.176 . . . . 39.530000000000001 107.826 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' A8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 32.2 tptt -116.86 151.23 37.01 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 108.282 -1.007 . . . . 23.640000000000001 108.282 -178.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 59.6 t -112.92 130.0 67.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.728 -0.471 . . . . 14.800000000000001 109.728 179.081 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' LEU . . . . . 0.62 HD22 HD12 ' D' ' 9' ' ' ILE . 2.1 mp -116.88 142.22 47.22 Favored 'General case' 0 CA--C 1.494 -1.183 0 N-CA-C 108.757 -0.831 . . . . 24.670000000000002 108.757 170.902 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' GLY . . . . . . . . . . . . . . . -170.73 -174.89 39.0 Favored Glycine 0 CA--C 1.498 -0.987 0 C-N-CA 116.329 -2.843 . . . . 13.35 114.067 -177.557 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -119.64 149.26 42.26 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.042 -1.079 . . . . 26.48 110.226 179.441 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 47.6 t -89.01 134.56 28.11 Favored 'Isoleucine or valine' 0 C--O 1.25 1.104 0 N-CA-C 108.068 -1.086 . . . . 13.220000000000001 108.068 164.031 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' ILE . . . . . . . . . . . . . 50.6 mt -129.3 147.07 33.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.466 -0.788 . . . . 19.300000000000001 109.568 -179.656 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -91.91 124.74 36.25 Favored 'General case' 0 C--O 1.246 0.916 0 N-CA-C 109.088 -0.708 . . . . 35.340000000000003 109.088 178.027 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 20.6 m . . . . . 0 C--N 1.326 -0.437 0 CA-C-N 115.922 -0.581 . . . . 25.510000000000002 111.187 174.752 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 1' ' ' LYS . . . . . 0.769 ' HE2' ' HE2' ' D' ' 3' ' ' LYS . 42.3 mtpt . . . . . 0 C--O 1.214 -0.814 0 N-CA-C 109.058 -0.719 . . . . 35.030000000000001 109.058 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 2' ' ' A8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 3' ' ' LYS . . . . . 0.769 ' HE2' ' HE2' ' D' ' 1' ' ' LYS . 52.3 mmtt -114.64 172.88 6.76 Favored 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 108.327 -0.99 . . . . 25.18 108.327 176.404 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 52.9 t -124.44 136.97 58.83 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.763 0 N-CA-C 110.158 -0.312 . . . . 17.73 110.158 -177.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 45.1 tp -130.01 121.27 26.16 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 106.535 -1.654 . . . . 20.73 106.535 172.388 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 6' ' ' GLY . . . . . . . . . . . . . . . -147.81 -178.12 22.76 Favored Glycine 0 CA--C 1.506 -0.5 0 C-N-CA 119.657 -1.259 . . . . 12.550000000000001 115.145 -171.962 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -132.27 151.37 51.86 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.726 -0.737 . . . . 28.640000000000001 109.59 -178.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 78.2 t -97.44 132.37 42.27 Favored 'Isoleucine or valine' 0 C--O 1.244 0.765 0 N-CA-C 107.192 -1.41 . . . . 20.140000000000001 107.192 175.618 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 9' ' ' ILE . . . . . 0.62 HD12 HD22 ' C' ' 5' ' ' LEU . 65.2 mt -128.67 157.78 41.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.406 -0.816 . . . . 31.539999999999999 109.105 173.586 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 10' ' ' GLU . . . . . 0.457 ' N ' HG22 ' D' ' 9' ' ' ILE . 12.5 tt0 -93.48 133.9 36.29 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 119.641 -0.824 . . . . 41.890000000000001 111.505 171.298 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 26.5 m . . . . . 0 CA--C 1.514 -0.423 0 C-N-CA 119.754 -0.778 . . . . 38.75 109.163 173.071 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' MPD . . . . . 0.427 ' H13' ' O ' ' C' ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' HOH . . . . . 0.427 ' O ' ' H13' ' B' ' 12' ' ' MPD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 17' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 19' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_