data_6qrh_residue ############################ # Computer software used # ############################ 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 6qrh _Structure_validation_residue.Date_analyzed 2019-02-22 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' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.551 0 CA-C-O 119.558 -0.579 . . . . 37.73 113.756 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.7 tp -62.43 -36.94 77.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 CA-C-O 120.734 0.302 . . . . 31.8 110.972 -168.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 85.3 t -69.75 -43.5 79.92 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 C-N-CA 120.128 -0.629 . . . . 29.66 110.81 -179.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -67.67 -34.56 77.17 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.09 -0.644 . . . . 51.91 111.621 178.566 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -84.03 -27.42 28.36 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 113.612 0.967 . . . . 31.83 113.612 -179.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.2 m -118.99 -17.75 8.96 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 115.089 1.514 . . . . 22.79 115.089 -173.213 -77.014 -107.164 62.499 103.62 2.009 106.443 55.851 -157.274 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.7 t -104.19 -52.42 2.93 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 119.134 0.879 . . . . 20.26 112.112 175.85 173.546 53.805 98.71 106.033 2.011 101.659 -79.742 -62.166 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.74 -27.78 63.23 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 120.799 -0.36 . . . . 24.46 111.52 178.243 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.7 m -126.63 170.65 11.86 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 124.596 1.158 . . . . 35.46 108.951 173.728 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' VAL . . . . . 0.446 ' O ' ' O ' ' A' ' 101' ' ' HOH . 85.6 t -72.25 132.8 32.89 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 115.68 -0.691 . . . . 27.0 109.428 -176.339 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.7 t -72.46 172.42 10.51 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.928 0.87 . . . . 22.68 110.866 -177.599 -157.274 55.851 62.499 106.443 2.009 103.62 -107.164 -77.014 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.3 p -148.08 157.96 43.8 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.033 -0.729 . . . . 21.86 109.033 169.154 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.7 tp -60.47 -39.06 86.25 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 119.996 -0.682 . . . . 20.53 111.359 177.541 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -55.16 -48.89 73.1 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.8 0.334 . . . . 47.4 110.982 173.79 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -61.02 -48.05 83.59 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 120.118 -0.633 . . . . 36.93 111.043 -179.048 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.0 mt -59.75 -47.08 87.08 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.513 -0.475 . . . . 22.22 111.252 -176.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -66.02 -23.34 66.54 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 112.301 0.482 . . . . 19.36 112.301 -175.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -59.92 -14.31 15.06 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 119.571 -0.852 . . . . 36.42 112.593 171.493 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -109.68 4.93 22.46 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 113.376 0.88 . . . . 48.64 113.376 -179.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 66.6 m -73.74 154.72 39.49 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.234 -0.586 . . . . 25.74 110.055 168.005 -57.848 -41.325 -81.393 107.983 2.009 102.056 -61.294 -63.701 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.2 m120 . . . . . 0 N--CA 1.468 0.474 0 C-N-CA 120.432 -0.507 . . . . 53.1 109.873 175.122 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 35.5 p90 . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.977 0.418 . . . . 34.45 111.599 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.4 t -92.94 -18.34 7.13 Favored 'Isoleucine or valine' 0 C--O 1.245 0.833 0 N-CA-C 113.638 0.977 . . . . 27.73 113.638 -170.827 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -96.43 65.85 2.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 122.878 1.323 . . . . 27.54 109.728 -171.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -153.66 -179.59 7.94 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 114.471 -1.24 . . . . 42.33 109.125 178.105 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -74.09 119.87 18.9 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 108.438 -0.949 . . . . 24.54 108.438 170.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.7 mt -122.74 107.47 11.95 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 107.926 -1.138 . . . . 21.83 107.926 -177.594 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 71.9 m -120.41 144.95 47.66 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 122.982 0.513 . . . . 24.96 110.407 -173.709 -62.166 -79.742 98.71 101.659 2.011 106.033 53.805 173.546 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 64.51 -135.08 38.81 Favored Glycine 0 C--N 1.334 0.464 0 C-N-CA 120.642 -0.79 . . . . 21.39 111.978 168.826 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 60.5 p -65.69 -24.01 66.9 Favored 'General case' 0 C--O 1.239 0.5 0 C-N-CA 119.153 -1.019 . . . . 23.44 110.811 -176.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' HIS . . . . . 0.471 ' ND1' ' N ' ' B' ' 10' ' ' HIS . 0.9 OUTLIER -60.39 -44.55 95.57 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.081 -0.647 . . . . 24.43 111.229 174.207 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.0 tp -65.78 -42.84 90.29 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 119.968 -0.693 . . . . 21.54 111.286 179.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 44.9 t -64.28 -39.6 86.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 CA-C-O 121.355 0.597 . . . . 22.67 110.174 -178.065 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -62.39 -44.29 96.79 Favored 'General case' 0 C--O 1.238 0.498 0 O-C-N 121.763 -0.585 . . . . 19.87 111.382 177.263 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.24 -46.49 88.34 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 120.879 -0.329 . . . . 15.61 111.12 177.613 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 19.5 mt -57.61 -45.92 84.74 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.181 0.515 . . . . 19.36 110.934 176.404 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -55.34 -49.22 72.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.523 -0.308 . . . . 19.15 111.487 175.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 47.7 mt -66.4 -43.68 85.14 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.033 -0.667 . . . . 18.68 111.343 -177.792 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 24.7 t -74.79 -41.66 47.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 C-N-CA 120.099 -0.64 . . . . 20.97 111.124 -173.825 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 77.3 m -81.79 -21.42 37.76 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.16 -0.962 . . . . 22.39 113.39 -172.691 -63.701 -61.294 -81.393 102.056 2.009 107.983 -41.325 -57.848 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 54.07 -136.54 42.08 Favored Glycine 0 CA--C 1.518 0.253 0 C-N-CA 120.726 -0.749 . . . . 25.75 112.67 174.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -55.62 -38.88 70.06 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.309 -0.446 . . . . 65.93 112.115 -173.839 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -52.39 -31.13 32.46 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 112.391 0.515 . . . . 52.38 112.391 -178.097 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.71 -175.18 30.96 Favored Glycine 0 N--CA 1.45 -0.407 0 N-CA-C 110.422 -1.071 . . . . 22.97 110.422 -168.929 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -157.41 172.88 17.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.656 0.741 . . . . 24.92 109.178 -171.083 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -125.89 136.3 52.9 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.514 -0.921 . . . . 53.1 108.514 170.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -115.24 113.17 23.54 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.085 -1.45 . . . . 28.48 107.085 -177.087 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 89.6 m -130.49 100.34 18.22 Favored Pre-proline 0 C--O 1.243 0.722 0 N-CA-C 107.831 -1.174 . . . . 56.29 107.831 -178.39 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -84.96 2.56 7.9 Favored 'Trans proline' 0 C--O 1.238 0.513 0 N-CA-C 115.246 1.21 . . . . 55.59 115.246 -177.343 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -119.16 30.34 7.19 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.841 1.2 . . . . 91.03 112.53 175.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.724 0 O-C-N 121.351 -0.843 . . . . 86.57 112.149 179.092 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . 0.446 ' O ' ' O ' ' A' ' 10' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud 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 ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.551 0 CA-C-O 119.558 -0.579 . . . . 37.73 113.756 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ILE . . . . . 0.584 HG13 HD21 ' B' ' 11' ' ' LEU . 7.7 tp -62.43 -36.94 77.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 CA-C-O 120.734 0.302 . . . . 31.8 110.972 -168.64 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 85.3 t -69.75 -43.5 79.92 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 C-N-CA 120.128 -0.629 . . . . 29.66 110.81 -179.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -67.67 -34.56 77.17 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.09 -0.644 . . . . 51.91 111.621 178.566 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -84.03 -27.42 28.36 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 113.612 0.967 . . . . 31.83 113.612 -179.729 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.2 m -118.99 -17.75 8.96 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 115.089 1.514 . . . . 22.79 115.089 -173.213 -77.014 -107.164 62.499 103.62 2.009 106.443 55.851 -157.274 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.7 t -104.19 -52.42 2.93 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 119.134 0.879 . . . . 20.26 112.112 175.85 173.546 53.805 98.71 106.033 2.011 101.659 -79.742 -62.166 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.74 -27.78 63.23 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 120.799 -0.36 . . . . 24.46 111.52 178.243 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.7 m -126.63 170.65 11.86 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 124.596 1.158 . . . . 35.46 108.951 173.728 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' VAL . . . . . 0.446 ' O ' ' O ' ' A' ' 101' ' ' HOH . 85.6 t -72.25 132.8 32.89 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 115.68 -0.691 . . . . 27.0 109.428 -176.339 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.7 t -72.46 172.42 10.51 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.928 0.87 . . . . 22.68 110.866 -177.599 -157.274 55.851 62.499 106.443 2.009 103.62 -107.164 -77.014 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.3 p -148.08 157.96 43.8 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.033 -0.729 . . . . 21.86 109.033 169.154 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.7 tp -60.47 -39.06 86.25 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 119.996 -0.682 . . . . 20.53 111.359 177.541 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -55.16 -48.89 73.1 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.8 0.334 . . . . 47.4 110.982 173.79 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -61.02 -48.05 83.59 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 120.118 -0.633 . . . . 36.93 111.043 -179.048 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.0 mt -59.75 -47.08 87.08 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.513 -0.475 . . . . 22.22 111.252 -176.772 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -66.02 -23.34 66.54 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 112.301 0.482 . . . . 19.36 112.301 -175.539 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -59.92 -14.31 15.06 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 119.571 -0.852 . . . . 36.42 112.593 171.493 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -109.68 4.93 22.46 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 113.376 0.88 . . . . 48.64 113.376 -179.691 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 66.6 m -73.74 154.72 39.49 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.234 -0.586 . . . . 25.74 110.055 168.005 -57.848 -41.325 -81.393 107.983 2.009 102.056 -61.294 -63.701 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.2 m120 . . . . . 0 N--CA 1.468 0.474 0 C-N-CA 120.432 -0.507 . . . . 53.1 109.873 175.122 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 35.5 p90 . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.977 0.418 . . . . 34.45 111.599 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.4 t -92.94 -18.34 7.13 Favored 'Isoleucine or valine' 0 C--O 1.245 0.833 0 N-CA-C 113.638 0.977 . . . . 27.73 113.638 -170.827 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -96.43 65.85 2.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 122.878 1.323 . . . . 27.54 109.728 -171.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -153.66 -179.59 7.94 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 114.471 -1.24 . . . . 42.33 109.125 178.105 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -74.09 119.87 18.9 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 108.438 -0.949 . . . . 24.54 108.438 170.882 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.7 mt -122.74 107.47 11.95 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 107.926 -1.138 . . . . 21.83 107.926 -177.594 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 71.9 m -120.41 144.95 47.66 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 122.982 0.513 . . . . 24.96 110.407 -173.709 -62.166 -79.742 98.71 101.659 2.011 106.033 53.805 173.546 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 64.51 -135.08 38.81 Favored Glycine 0 C--N 1.334 0.464 0 C-N-CA 120.642 -0.79 . . . . 21.39 111.978 168.826 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 60.5 p -65.69 -24.01 66.9 Favored 'General case' 0 C--O 1.239 0.5 0 C-N-CA 119.153 -1.019 . . . . 23.44 110.811 -176.857 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' HIS . . . . . 0.471 ' ND1' ' N ' ' B' ' 10' ' ' HIS . 0.9 OUTLIER -60.39 -44.55 95.57 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.081 -0.647 . . . . 24.43 111.229 174.207 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 11' ' ' LEU . . . . . 0.584 HD21 HG13 ' A' ' 2' ' ' ILE . 43.0 tp -65.78 -42.84 90.29 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 119.968 -0.693 . . . . 21.54 111.286 179.152 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 44.9 t -64.28 -39.6 86.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 CA-C-O 121.355 0.597 . . . . 22.67 110.174 -178.065 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -62.39 -44.29 96.79 Favored 'General case' 0 C--O 1.238 0.498 0 O-C-N 121.763 -0.585 . . . . 19.87 111.382 177.263 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.24 -46.49 88.34 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 120.879 -0.329 . . . . 15.61 111.12 177.613 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 19.5 mt -57.61 -45.92 84.74 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.181 0.515 . . . . 19.36 110.934 176.404 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -55.34 -49.22 72.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.523 -0.308 . . . . 19.15 111.487 175.148 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 47.7 mt -66.4 -43.68 85.14 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.033 -0.667 . . . . 18.68 111.343 -177.792 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 24.7 t -74.79 -41.66 47.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 C-N-CA 120.099 -0.64 . . . . 20.97 111.124 -173.825 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 77.3 m -81.79 -21.42 37.76 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.16 -0.962 . . . . 22.39 113.39 -172.691 -63.701 -61.294 -81.393 102.056 2.009 107.983 -41.325 -57.848 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 54.07 -136.54 42.08 Favored Glycine 0 CA--C 1.518 0.253 0 C-N-CA 120.726 -0.749 . . . . 25.75 112.67 174.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -55.62 -38.88 70.06 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.309 -0.446 . . . . 65.93 112.115 -173.839 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -52.39 -31.13 32.46 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 112.391 0.515 . . . . 52.38 112.391 -178.097 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.71 -175.18 30.96 Favored Glycine 0 N--CA 1.45 -0.407 0 N-CA-C 110.422 -1.071 . . . . 22.97 110.422 -168.929 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -157.41 172.88 17.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.656 0.741 . . . . 24.92 109.178 -171.083 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -125.89 136.3 52.9 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.514 -0.921 . . . . 53.1 108.514 170.384 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -115.24 113.17 23.54 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.085 -1.45 . . . . 28.48 107.085 -177.087 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 89.6 m -130.49 100.34 18.22 Favored Pre-proline 0 C--O 1.243 0.722 0 N-CA-C 107.831 -1.174 . . . . 56.29 107.831 -178.39 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -84.96 2.56 7.9 Favored 'Trans proline' 0 C--O 1.238 0.513 0 N-CA-C 115.246 1.21 . . . . 55.59 115.246 -177.343 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -119.16 30.34 7.19 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.841 1.2 . . . . 91.03 112.53 175.353 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.724 0 O-C-N 121.351 -0.843 . . . . 86.57 112.149 179.092 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . 0.446 ' O ' ' O ' ' A' ' 10' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud 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 ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.551 0 CA-C-O 119.558 -0.579 . . . . 37.73 113.756 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.584 HG13 HD21 ' B' ' 11' ' ' LEU . 7.7 tp -62.43 -36.94 77.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 CA-C-O 120.734 0.302 . . . . 31.8 110.972 -168.64 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 85.3 t -69.75 -43.5 79.92 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 C-N-CA 120.128 -0.629 . . . . 29.66 110.81 -179.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -67.67 -34.56 77.17 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.09 -0.644 . . . . 51.91 111.621 178.566 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -84.03 -27.42 28.36 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 113.612 0.967 . . . . 31.83 113.612 -179.729 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.2 m -118.99 -17.75 8.96 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 115.089 1.514 . . . . 22.79 115.089 -173.213 -77.014 -107.164 62.499 103.62 2.009 106.443 55.851 -157.274 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.7 t -104.19 -52.42 2.93 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 119.134 0.879 . . . . 20.26 112.112 175.85 173.546 53.805 98.71 106.033 2.011 101.659 -79.742 -62.166 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.74 -27.78 63.23 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 120.799 -0.36 . . . . 24.46 111.52 178.243 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.7 m -126.63 170.65 11.86 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 124.596 1.158 . . . . 35.46 108.951 173.728 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.446 ' O ' ' O ' ' A' ' 101' ' ' HOH . 85.6 t -72.25 132.8 32.89 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 115.68 -0.691 . . . . 27.0 109.428 -176.339 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.7 t -72.46 172.42 10.51 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.928 0.87 . . . . 22.68 110.866 -177.599 -157.274 55.851 62.499 106.443 2.009 103.62 -107.164 -77.014 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.3 p -148.08 157.96 43.8 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.033 -0.729 . . . . 21.86 109.033 169.154 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.7 tp -60.47 -39.06 86.25 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 119.996 -0.682 . . . . 20.53 111.359 177.541 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -55.16 -48.89 73.1 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.8 0.334 . . . . 47.4 110.982 173.79 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -61.02 -48.05 83.59 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 120.118 -0.633 . . . . 36.93 111.043 -179.048 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.0 mt -59.75 -47.08 87.08 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.513 -0.475 . . . . 22.22 111.252 -176.772 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -66.02 -23.34 66.54 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 112.301 0.482 . . . . 19.36 112.301 -175.539 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -59.92 -14.31 15.06 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 119.571 -0.852 . . . . 36.42 112.593 171.493 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -109.68 4.93 22.46 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 113.376 0.88 . . . . 48.64 113.376 -179.691 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 66.6 m -73.74 154.72 39.49 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.234 -0.586 . . . . 25.74 110.055 168.005 -57.848 -41.325 -81.393 107.983 2.009 102.056 -61.294 -63.701 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.2 m120 . . . . . 0 N--CA 1.468 0.474 0 C-N-CA 120.432 -0.507 . . . . 53.1 109.873 175.122 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 35.5 p90 . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.977 0.418 . . . . 34.45 111.599 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.4 t -92.94 -18.34 7.13 Favored 'Isoleucine or valine' 0 C--O 1.245 0.833 0 N-CA-C 113.638 0.977 . . . . 27.73 113.638 -170.827 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -96.43 65.85 2.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 122.878 1.323 . . . . 27.54 109.728 -171.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -153.66 -179.59 7.94 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 114.471 -1.24 . . . . 42.33 109.125 178.105 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -74.09 119.87 18.9 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 108.438 -0.949 . . . . 24.54 108.438 170.882 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.7 mt -122.74 107.47 11.95 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 107.926 -1.138 . . . . 21.83 107.926 -177.594 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 71.9 m -120.41 144.95 47.66 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 122.982 0.513 . . . . 24.96 110.407 -173.709 -62.166 -79.742 98.71 101.659 2.011 106.033 53.805 173.546 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 64.51 -135.08 38.81 Favored Glycine 0 C--N 1.334 0.464 0 C-N-CA 120.642 -0.79 . . . . 21.39 111.978 168.826 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 60.5 p -65.69 -24.01 66.9 Favored 'General case' 0 C--O 1.239 0.5 0 C-N-CA 119.153 -1.019 . . . . 23.44 110.811 -176.857 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' HIS . . . . . 0.471 ' ND1' ' N ' ' B' ' 10' ' ' HIS . 0.9 OUTLIER -60.39 -44.55 95.57 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.081 -0.647 . . . . 24.43 111.229 174.207 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.584 HD21 HG13 ' A' ' 2' ' ' ILE . 43.0 tp -65.78 -42.84 90.29 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 119.968 -0.693 . . . . 21.54 111.286 179.152 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 44.9 t -64.28 -39.6 86.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 CA-C-O 121.355 0.597 . . . . 22.67 110.174 -178.065 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -62.39 -44.29 96.79 Favored 'General case' 0 C--O 1.238 0.498 0 O-C-N 121.763 -0.585 . . . . 19.87 111.382 177.263 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.24 -46.49 88.34 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 120.879 -0.329 . . . . 15.61 111.12 177.613 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 19.5 mt -57.61 -45.92 84.74 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.181 0.515 . . . . 19.36 110.934 176.404 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -55.34 -49.22 72.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.523 -0.308 . . . . 19.15 111.487 175.148 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 47.7 mt -66.4 -43.68 85.14 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.033 -0.667 . . . . 18.68 111.343 -177.792 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 24.7 t -74.79 -41.66 47.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 C-N-CA 120.099 -0.64 . . . . 20.97 111.124 -173.825 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 77.3 m -81.79 -21.42 37.76 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.16 -0.962 . . . . 22.39 113.39 -172.691 -63.701 -61.294 -81.393 102.056 2.009 107.983 -41.325 -57.848 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 54.07 -136.54 42.08 Favored Glycine 0 CA--C 1.518 0.253 0 C-N-CA 120.726 -0.749 . . . . 25.75 112.67 174.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -55.62 -38.88 70.06 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.309 -0.446 . . . . 65.93 112.115 -173.839 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -52.39 -31.13 32.46 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 112.391 0.515 . . . . 52.38 112.391 -178.097 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.71 -175.18 30.96 Favored Glycine 0 N--CA 1.45 -0.407 0 N-CA-C 110.422 -1.071 . . . . 22.97 110.422 -168.929 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -157.41 172.88 17.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.656 0.741 . . . . 24.92 109.178 -171.083 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -125.89 136.3 52.9 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.514 -0.921 . . . . 53.1 108.514 170.384 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -115.24 113.17 23.54 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.085 -1.45 . . . . 28.48 107.085 -177.087 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 89.6 m -130.49 100.34 18.22 Favored Pre-proline 0 C--O 1.243 0.722 0 N-CA-C 107.831 -1.174 . . . . 56.29 107.831 -178.39 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -84.96 2.56 7.9 Favored 'Trans proline' 0 C--O 1.238 0.513 0 N-CA-C 115.246 1.21 . . . . 55.59 115.246 -177.343 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -119.16 30.34 7.19 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.841 1.2 . . . . 91.03 112.53 175.353 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.724 0 O-C-N 121.351 -0.843 . . . . 86.57 112.149 179.092 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . 0.446 ' O ' ' O ' ' A' ' 10' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 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 ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_