data_6ucl_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 6ucl _Structure_validation_residue.Date_analyzed 2020-01-10 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 ' 158' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.953 0.406 . . . . 88.77 111.105 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . . . -61.22 -46.62 89.69 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.057 -0.52 . . . . 84.68 111.245 -177.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . . . -61.42 -37.2 77.18 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 C-N-CA 120.441 -0.504 . . . . 79.79 111.389 -176.665 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . . . -61.08 -48.98 79.2 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 120.23 -0.588 . . . . 66.8 110.645 177.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . . . -56.12 -48.17 76.7 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.763 -0.375 . . . . 54.97 110.826 177.1 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . . . -58.97 -53.0 63.34 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 120.644 -0.422 . . . . 57.74 111.217 -178.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 31.0 ttm105 -52.35 -48.16 65.67 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 120.869 0.366 . . . . 92.76 111.311 177.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 165' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -60.42 -39.62 88.06 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 119.706 -0.797 . . . . 66.98 111.254 179.693 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . . . -60.81 -40.79 94.0 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 119.891 -0.724 . . . . 44.69 110.73 177.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 14.6 mt -67.67 -36.65 81.09 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 119.792 -0.763 . . . . 56.25 111.298 179.292 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -62.25 -46.86 86.92 Favored 'General case' 0 C--O 1.241 0.612 0 C-N-CA 119.692 -0.803 . . . . 50.5 110.632 176.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -58.67 -43.18 89.82 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.732 -0.387 . . . . 31.57 111.287 177.932 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -63.93 -37.04 85.94 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.184 -0.607 . . . . 29.06 111.149 178.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 34.5 tttm -61.17 -58.33 8.79 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 120.538 -0.465 . . . . 67.69 110.863 177.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 44.3 t -59.21 -38.19 79.3 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 119.522 -0.871 . . . . 31.04 111.053 -178.842 -176.869 0.0 0.0 0.0 0.0 0.0 0.0 -176.869 1 1 . 1 . 001 ecloud orig full ' A' A ' 173' ' ' ARG . . . . . 0.636 ' NH1' ' O ' ' A' ' 402' ' ' HOH . 47.8 ttp180 -58.04 -49.39 77.03 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.877 0.37 . . . . 55.59 111.197 178.295 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -68.03 -43.71 78.14 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 120.474 -0.49 . . . . 54.13 111.138 -175.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -57.47 -40.06 77.74 Favored 'General case' 0 C--O 1.24 0.567 0 C-N-CA 120.334 -0.547 . . . . 68.0 110.811 175.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 9.9 tmm_? -65.59 -43.36 89.95 Favored 'General case' 0 C--O 1.238 0.454 0 O-C-N 122.262 -0.274 . . . . 47.01 111.508 178.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -62.61 -38.31 89.7 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 119.826 -0.75 . . . . 23.87 110.908 177.309 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -62.7 -49.71 74.02 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 120.445 -0.502 . . . . 64.01 110.983 178.319 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 91.9 mt -60.18 -37.57 80.59 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 119.62 -0.832 . . . . 32.07 111.186 177.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 180' ' ' THR . . . . . . . . . . . . . 89.1 m -58.68 -47.55 84.12 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 120.28 -0.568 . . . . 26.96 110.877 176.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -64.23 -48.85 74.25 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 120.079 -0.649 . . . . 30.31 110.919 -177.411 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 -57.59 -43.0 84.3 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 119.862 -0.735 . . . . 67.74 110.913 179.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 21.7 tp -63.84 -37.31 86.91 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 120.376 -0.53 . . . . 34.19 110.986 -178.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -61.93 -43.42 98.87 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 119.811 -0.756 . . . . 84.79 110.796 174.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -58.76 -55.4 35.63 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.096 0.474 . . . . 38.83 111.192 179.622 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -62.36 -32.37 73.15 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 119.96 -0.696 . . . . 36.85 111.7 -178.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 87.3 m -66.12 -44.53 84.0 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 119.901 -0.719 . . . . 44.11 110.949 176.944 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 188' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -57.1 -48.5 78.46 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.078 -0.649 . . . . 48.01 110.902 175.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -55.69 -43.28 76.25 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.864 -0.735 . . . . 67.82 111.238 178.208 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 87.6 mt -62.61 -37.68 87.24 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 119.699 -0.801 . . . . 48.79 111.018 179.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -61.95 -47.46 84.76 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 120.013 -0.675 . . . . 58.8 110.585 177.301 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -51.24 -49.64 60.73 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.209 -0.596 . . . . 75.56 110.49 174.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.01 -38.14 72.69 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 120.103 -0.639 . . . . 67.67 111.3 178.422 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 17.4 tttm -57.49 -60.03 4.27 Favored 'General case' 0 C--O 1.238 0.495 0 O-C-N 121.748 -0.595 . . . . 85.36 110.485 176.739 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 195' ' ' ALA . . . . . . . . . . . . . . . -50.06 -53.63 25.74 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-O 121.142 0.496 . . . . 50.89 111.225 179.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -55.33 -49.18 72.88 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.822 -0.351 . . . . 69.4 111.328 -178.07 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 3.9 mp -56.44 -44.54 80.56 Favored 'General case' 0 C--O 1.237 0.398 0 O-C-N 121.915 -0.491 . . . . 65.04 111.076 179.042 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . . . -55.98 -56.15 24.15 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-O 121.251 0.548 . . . . 58.04 110.735 178.153 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 199' ' ' SER . . . . . . . . . . . . . 33.6 t -51.28 -52.04 48.62 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.965 0.412 . . . . 64.27 111.115 179.377 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 200' ' ' GLU . . . . . . . . . . . . . . . -58.15 -42.93 86.97 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 120.323 -0.551 . . . . 49.74 111.315 -177.311 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 75.2 mt -57.99 -49.6 80.76 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 C-N-CA 120.006 -0.678 . . . . 56.46 110.05 178.542 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -56.61 -47.77 78.9 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 119.662 -0.815 . . . . 65.21 110.762 179.81 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' GLU . . . . . . . . . . . . . . . -63.5 -43.76 96.28 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.83 -0.348 . . . . 53.53 111.402 -175.216 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 31.0 mt -65.64 -38.25 88.86 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 119.623 -0.831 . . . . 65.04 110.935 179.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -62.47 -40.75 97.65 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 119.361 -0.936 . . . . 65.67 110.729 177.757 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . . . -60.95 -54.44 44.94 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 120.25 -0.58 . . . . 60.37 110.817 175.448 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . . . -53.33 -36.17 61.0 Favored 'General case' 0 C--O 1.236 0.381 0 O-C-N 122.153 -0.342 . . . . 51.58 111.354 179.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -65.7 -45.64 82.02 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 120.3 -0.56 . . . . 74.42 110.764 175.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . . . -54.42 -51.04 66.17 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 120.174 -0.61 . . . . 62.76 110.746 178.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 40.6 mtm180 -60.37 -47.37 86.37 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.315 -0.554 . . . . 92.29 110.913 179.325 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -52.16 -39.27 59.77 Favored 'General case' 0 C--O 1.237 0.408 0 O-C-N 122.225 -0.297 . . . . 65.72 111.106 178.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -76.55 -32.26 58.08 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 112.072 0.397 . . . . 74.23 112.072 -178.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -61.16 -41.88 97.56 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 119.414 -0.914 . . . . 87.73 110.501 171.058 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' VAL . . . . . . . . . . . . . 70.6 t -66.33 -40.59 87.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 C-N-CA 120.508 -0.477 . . . . 60.67 110.603 178.543 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 14.8 mt -68.71 -31.4 70.45 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 119.649 -0.82 . . . . 62.06 112.044 179.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' VAL . . . . . . . . . . . . . 8.3 t -75.99 -49.69 25.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 CA-C-N 118.112 0.415 . . . . 66.71 110.67 -177.889 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 O-C-N 121.934 -0.479 . . . . 56.63 110.231 179.774 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 303' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 401' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 402' ' ' HOH . . . . . 0.636 ' O ' ' NH1' ' A' ' 173' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 403' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 404' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 405' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 406' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 407' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 408' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 409' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 410' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 411' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 158' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.953 0.406 . . . . 74.63 111.105 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . . . -61.22 -46.62 89.69 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.057 -0.52 . . . . 70.16 111.245 -177.996 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . . . -61.42 -37.2 77.18 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 C-N-CA 120.441 -0.504 . . . . 66.09 111.389 -176.665 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . . . -61.08 -48.98 79.2 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 120.23 -0.588 . . . . 55.26 110.645 177.788 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . . . -56.12 -48.17 76.7 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.763 -0.375 . . . . 52.97 110.826 177.1 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . . . -58.97 -53.0 63.34 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 120.644 -0.422 . . . . 51.14 111.217 -178.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 31.0 ttm105 -52.35 -48.16 65.67 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 120.869 0.366 . . . . 76.9 111.311 177.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 165' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -60.42 -39.62 88.06 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 119.706 -0.797 . . . . 62.89 111.254 179.693 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . . . -60.81 -40.79 94.0 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 119.891 -0.724 . . . . 41.67 110.73 177.813 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 14.6 mt -67.67 -36.65 81.09 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 119.792 -0.763 . . . . 46.47 111.298 179.292 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -62.25 -46.86 86.92 Favored 'General case' 0 C--O 1.241 0.612 0 C-N-CA 119.692 -0.803 . . . . 41.67 110.632 176.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -58.67 -43.18 89.82 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.732 -0.387 . . . . 25.9 111.287 177.932 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -63.93 -37.04 85.94 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.184 -0.607 . . . . 29.06 111.149 178.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 34.5 tttm -61.17 -58.33 8.79 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 120.538 -0.465 . . . . 56.0 110.863 177.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 44.3 t -59.21 -38.19 79.3 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 119.522 -0.871 . . . . 38.83 111.053 -178.842 -176.869 0.0 0.0 0.0 0.0 0.0 0.0 -176.869 1 1 . 1 . 001 ecloud build full ' A' A ' 173' ' ' ARG . . . . . 0.622 ' NH1' ' O ' ' A' ' 402' ' ' HOH . 47.8 ttp180 -58.04 -49.39 77.03 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.877 0.37 . . . . 45.91 111.197 178.295 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -68.03 -43.71 78.14 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 120.474 -0.49 . . . . 44.7 111.138 -175.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -57.47 -40.06 77.74 Favored 'General case' 0 C--O 1.24 0.567 0 C-N-CA 120.334 -0.547 . . . . 56.26 110.811 175.534 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 9.9 tmm_? -65.59 -43.36 89.95 Favored 'General case' 0 C--O 1.238 0.454 0 O-C-N 122.262 -0.274 . . . . 40.45 111.508 178.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -62.61 -38.31 89.7 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 119.826 -0.75 . . . . 23.26 110.908 177.309 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -62.7 -49.71 74.02 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 120.445 -0.502 . . . . 64.01 110.983 178.319 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 91.9 mt -60.18 -37.57 80.59 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 119.62 -0.832 . . . . 26.32 111.186 177.67 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 180' ' ' THR . . . . . . . . . . . . . 89.1 m -58.68 -47.55 84.12 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 120.28 -0.568 . . . . 22.06 110.877 176.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -64.23 -48.85 74.25 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 120.079 -0.649 . . . . 30.31 110.919 -177.411 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 -57.59 -43.0 84.3 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 119.862 -0.735 . . . . 56.05 110.913 179.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 21.7 tp -63.84 -37.31 86.91 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 120.376 -0.53 . . . . 29.99 110.986 -178.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -61.93 -43.42 98.87 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 119.811 -0.756 . . . . 70.25 110.796 174.447 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -58.76 -55.4 35.63 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.096 0.474 . . . . 38.83 111.192 179.622 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -62.36 -32.37 73.15 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 119.96 -0.696 . . . . 36.85 111.7 -178.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 87.3 m -66.12 -44.53 84.0 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 119.901 -0.719 . . . . 36.35 110.949 176.944 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 188' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -57.1 -48.5 78.46 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.078 -0.649 . . . . 43.71 110.902 175.005 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -55.69 -43.28 76.25 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.864 -0.735 . . . . 56.11 111.238 178.208 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 87.6 mt -62.61 -37.68 87.24 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 119.699 -0.801 . . . . 40.25 111.018 179.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -61.95 -47.46 84.76 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 120.013 -0.675 . . . . 58.8 110.585 177.301 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -51.24 -49.64 60.73 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.209 -0.596 . . . . 75.56 110.49 174.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.01 -38.14 72.69 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 120.103 -0.639 . . . . 67.67 111.3 178.422 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 17.4 tttm -57.49 -60.03 4.27 Favored 'General case' 0 C--O 1.238 0.495 0 O-C-N 121.748 -0.595 . . . . 70.73 110.485 176.739 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 195' ' ' ALA . . . . . . . . . . . . . . . -50.06 -53.63 25.74 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-O 121.142 0.496 . . . . 42.13 111.225 179.861 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -55.33 -49.18 72.88 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.822 -0.351 . . . . 69.4 111.328 -178.07 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 3.9 mp -56.44 -44.54 80.56 Favored 'General case' 0 C--O 1.237 0.398 0 O-C-N 121.915 -0.491 . . . . 53.79 111.076 179.042 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . . . -55.98 -56.15 24.15 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-O 121.251 0.548 . . . . 47.96 110.735 178.153 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 199' ' ' SER . . . . . . . . . . . . . 33.6 t -51.28 -52.04 48.62 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.965 0.412 . . . . 53.15 111.115 179.377 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 200' ' ' GLU . . . . . . . . . . . . . . . -58.15 -42.93 86.97 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 120.323 -0.551 . . . . 48.56 111.315 -177.311 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 75.2 mt -57.99 -49.6 80.76 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 C-N-CA 120.006 -0.678 . . . . 51.39 110.05 178.542 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -56.61 -47.77 78.9 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 119.662 -0.815 . . . . 59.46 110.762 179.81 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 203' ' ' GLU . . . . . . . . . . . . . . . -63.5 -43.76 96.28 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.83 -0.348 . . . . 53.53 111.402 -175.216 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 31.0 mt -65.64 -38.25 88.86 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 119.623 -0.831 . . . . 53.79 110.935 179.567 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 205' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -62.47 -40.75 97.65 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 119.361 -0.936 . . . . 56.8 110.729 177.757 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . . . -60.95 -54.44 44.94 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 120.25 -0.58 . . . . 49.9 110.817 175.448 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . . . -53.33 -36.17 61.0 Favored 'General case' 0 C--O 1.236 0.381 0 O-C-N 122.153 -0.342 . . . . 48.81 111.354 179.804 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -65.7 -45.64 82.02 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 120.3 -0.56 . . . . 61.61 110.764 175.866 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . . . -54.42 -51.04 66.17 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 120.174 -0.61 . . . . 56.5 110.746 178.337 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 40.6 mtm180 -60.37 -47.37 86.37 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.315 -0.554 . . . . 77.79 110.913 179.325 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -52.16 -39.27 59.77 Favored 'General case' 0 C--O 1.237 0.408 0 O-C-N 122.225 -0.297 . . . . 54.36 111.106 178.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -76.55 -32.26 58.08 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 112.072 0.397 . . . . 74.23 112.072 -178.865 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 213' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -61.16 -41.88 97.56 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 119.414 -0.914 . . . . 72.7 110.501 171.058 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 214' ' ' VAL . . . . . . . . . . . . . 70.6 t -66.33 -40.59 87.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 C-N-CA 120.508 -0.477 . . . . 50.15 110.603 178.543 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 14.8 mt -68.71 -31.4 70.45 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 119.649 -0.82 . . . . 51.31 112.044 179.545 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 216' ' ' VAL . . . . . . . . . . . . . 8.3 t -75.99 -49.69 25.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 CA-C-N 118.112 0.415 . . . . 55.19 110.67 -177.889 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 O-C-N 121.934 -0.479 . . . . 53.87 110.231 179.774 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 301' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 302' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 303' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 401' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 402' ' ' HOH . . . . . 0.622 ' O ' ' NH1' ' A' ' 173' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 403' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 404' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 405' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 406' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 407' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 408' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 409' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 410' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 411' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 158' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.953 0.406 . . . . 74.63 111.105 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . . . -61.22 -46.62 89.69 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.057 -0.52 . . . . 70.16 111.245 -177.996 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . . . -61.42 -37.2 77.18 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 C-N-CA 120.441 -0.504 . . . . 66.09 111.389 -176.665 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . . . -61.08 -48.98 79.2 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 120.23 -0.588 . . . . 55.26 110.645 177.788 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . . . -56.12 -48.17 76.7 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.763 -0.375 . . . . 52.97 110.826 177.1 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . . . -58.97 -53.0 63.34 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 120.644 -0.422 . . . . 51.14 111.217 -178.435 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 31.0 ttm105 -52.35 -48.16 65.67 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 120.869 0.366 . . . . 76.9 111.311 177.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 165' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -60.42 -39.62 88.06 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 119.706 -0.797 . . . . 62.89 111.254 179.693 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . . . -60.81 -40.79 94.0 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 119.891 -0.724 . . . . 41.67 110.73 177.813 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 14.6 mt -67.67 -36.65 81.09 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 119.792 -0.763 . . . . 46.47 111.298 179.292 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -62.25 -46.86 86.92 Favored 'General case' 0 C--O 1.241 0.612 0 C-N-CA 119.692 -0.803 . . . . 41.67 110.632 176.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -58.67 -43.18 89.82 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.732 -0.387 . . . . 25.9 111.287 177.932 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -63.93 -37.04 85.94 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.184 -0.607 . . . . 29.06 111.149 178.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 34.5 tttm -61.17 -58.33 8.79 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 120.538 -0.465 . . . . 56.0 110.863 177.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 44.3 t -59.21 -38.19 79.3 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 119.522 -0.871 . . . . 38.83 111.053 -178.842 -176.869 0.0 0.0 0.0 0.0 0.0 0.0 -176.869 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 173' ' ' ARG . . . . . 0.622 ' NH1' ' O ' ' A' ' 402' ' ' HOH . 47.8 ttp180 -58.04 -49.39 77.03 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.877 0.37 . . . . 45.91 111.197 178.295 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -68.03 -43.71 78.14 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 120.474 -0.49 . . . . 44.7 111.138 -175.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -57.47 -40.06 77.74 Favored 'General case' 0 C--O 1.24 0.567 0 C-N-CA 120.334 -0.547 . . . . 56.26 110.811 175.534 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 9.9 tmm_? -65.59 -43.36 89.95 Favored 'General case' 0 C--O 1.238 0.454 0 O-C-N 122.262 -0.274 . . . . 40.45 111.508 178.807 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -62.61 -38.31 89.7 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 119.826 -0.75 . . . . 23.26 110.908 177.309 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -62.7 -49.71 74.02 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 120.445 -0.502 . . . . 64.01 110.983 178.319 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 91.9 mt -60.18 -37.57 80.59 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 119.62 -0.832 . . . . 26.32 111.186 177.67 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 180' ' ' THR . . . . . . . . . . . . . 89.1 m -58.68 -47.55 84.12 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 120.28 -0.568 . . . . 22.06 110.877 176.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -64.23 -48.85 74.25 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 120.079 -0.649 . . . . 30.31 110.919 -177.411 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 -57.59 -43.0 84.3 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 119.862 -0.735 . . . . 56.05 110.913 179.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 21.7 tp -63.84 -37.31 86.91 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 120.376 -0.53 . . . . 29.99 110.986 -178.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -61.93 -43.42 98.87 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 119.811 -0.756 . . . . 70.25 110.796 174.447 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -58.76 -55.4 35.63 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.096 0.474 . . . . 38.83 111.192 179.622 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -62.36 -32.37 73.15 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 119.96 -0.696 . . . . 36.85 111.7 -178.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 87.3 m -66.12 -44.53 84.0 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 119.901 -0.719 . . . . 36.35 110.949 176.944 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 188' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -57.1 -48.5 78.46 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.078 -0.649 . . . . 43.71 110.902 175.005 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -55.69 -43.28 76.25 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.864 -0.735 . . . . 56.11 111.238 178.208 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 87.6 mt -62.61 -37.68 87.24 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 119.699 -0.801 . . . . 40.25 111.018 179.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -61.95 -47.46 84.76 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 120.013 -0.675 . . . . 58.8 110.585 177.301 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -51.24 -49.64 60.73 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.209 -0.596 . . . . 75.56 110.49 174.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.01 -38.14 72.69 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 120.103 -0.639 . . . . 67.67 111.3 178.422 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 17.4 tttm -57.49 -60.03 4.27 Favored 'General case' 0 C--O 1.238 0.495 0 O-C-N 121.748 -0.595 . . . . 70.73 110.485 176.739 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 195' ' ' ALA . . . . . . . . . . . . . . . -50.06 -53.63 25.74 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-O 121.142 0.496 . . . . 42.13 111.225 179.861 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -55.33 -49.18 72.88 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.822 -0.351 . . . . 69.4 111.328 -178.07 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 3.9 mp -56.44 -44.54 80.56 Favored 'General case' 0 C--O 1.237 0.398 0 O-C-N 121.915 -0.491 . . . . 53.79 111.076 179.042 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . . . -55.98 -56.15 24.15 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-O 121.251 0.548 . . . . 47.96 110.735 178.153 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 199' ' ' SER . . . . . . . . . . . . . 33.6 t -51.28 -52.04 48.62 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.965 0.412 . . . . 53.15 111.115 179.377 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 200' ' ' GLU . . . . . . . . . . . . . . . -58.15 -42.93 86.97 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 120.323 -0.551 . . . . 48.56 111.315 -177.311 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 75.2 mt -57.99 -49.6 80.76 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 C-N-CA 120.006 -0.678 . . . . 51.39 110.05 178.542 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -56.61 -47.77 78.9 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 119.662 -0.815 . . . . 59.46 110.762 179.81 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' GLU . . . . . . . . . . . . . . . -63.5 -43.76 96.28 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.83 -0.348 . . . . 53.53 111.402 -175.216 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 31.0 mt -65.64 -38.25 88.86 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 119.623 -0.831 . . . . 53.79 110.935 179.567 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -62.47 -40.75 97.65 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 119.361 -0.936 . . . . 56.8 110.729 177.757 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . . . -60.95 -54.44 44.94 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 120.25 -0.58 . . . . 49.9 110.817 175.448 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . . . -53.33 -36.17 61.0 Favored 'General case' 0 C--O 1.236 0.381 0 O-C-N 122.153 -0.342 . . . . 48.81 111.354 179.804 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -65.7 -45.64 82.02 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 120.3 -0.56 . . . . 61.61 110.764 175.866 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . . . -54.42 -51.04 66.17 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 120.174 -0.61 . . . . 56.5 110.746 178.337 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 40.6 mtm180 -60.37 -47.37 86.37 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.315 -0.554 . . . . 77.79 110.913 179.325 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -52.16 -39.27 59.77 Favored 'General case' 0 C--O 1.237 0.408 0 O-C-N 122.225 -0.297 . . . . 54.36 111.106 178.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -76.55 -32.26 58.08 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 112.072 0.397 . . . . 74.23 112.072 -178.865 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -61.16 -41.88 97.56 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 119.414 -0.914 . . . . 72.7 110.501 171.058 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' VAL . . . . . . . . . . . . . 70.6 t -66.33 -40.59 87.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 C-N-CA 120.508 -0.477 . . . . 50.15 110.603 178.543 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 14.8 mt -68.71 -31.4 70.45 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 119.649 -0.82 . . . . 51.31 112.044 179.545 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' VAL . . . . . . . . . . . . . 8.3 t -75.99 -49.69 25.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 CA-C-N 118.112 0.415 . . . . 55.19 110.67 -177.889 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 O-C-N 121.934 -0.479 . . . . 53.87 110.231 179.774 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 303' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 401' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 402' ' ' HOH . . . . . 0.622 ' O ' ' NH1' ' A' ' 173' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 403' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 404' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 405' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 406' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 407' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 408' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 409' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 410' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 411' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_