data_6q5l_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 6q5l _Structure_validation_residue.Date_analyzed 2019-05-17 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.204 -1.331 . . . . . . . . 59.47 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . -37.63 -64.89 0.69 Allowed Glycine 0 N--CA 1.497 2.755 0 O-C-N 126.399 2.312 . . . . 57.18 113.232 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -59.88 -48.07 83.18 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 124.455 1.102 . . . . 78.11 109.788 -171.234 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 66.9 mt -67.65 -36.75 81.35 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-O 117.461 -1.256 . . . . 41.87 108.314 -176.051 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -65.04 -39.16 92.94 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-N 120.128 1.331 . . . . 57.99 109.743 175.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.94 -43.11 89.01 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-N 119.233 0.924 . . . . 28.74 108.932 179.198 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 74.6 mt -63.46 -42.66 97.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 N-CA-C 107.873 -1.158 . . . . 29.94 107.873 178.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.68 -48.37 79.71 Favored 'General case' 0 C--O 1.247 0.966 0 CA-C-N 118.924 0.783 . . . . 25.07 108.976 179.352 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 29.1 mm100 -59.95 -40.76 90.1 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 123.515 0.509 . . . . 60.64 110.077 178.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -63.49 -42.27 98.54 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 110.019 -0.363 . . . . 31.82 110.019 179.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 55.1 mt -63.19 -36.42 83.59 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-O 118.086 -0.959 . . . . 21.57 109.064 179.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -67.53 -38.23 83.91 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-N 119.354 0.979 . . . . 55.6 108.938 177.723 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.98 -43.72 98.02 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 109.136 -0.69 . . . . 21.52 109.136 177.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 73.4 mt -60.83 -47.97 90.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 N-CA-C 108.769 -0.826 . . . . 19.81 108.769 177.167 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.44 -44.22 76.14 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 117.769 -1.11 . . . . 17.03 110.241 -179.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -61.21 -41.39 96.76 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 124.503 1.127 . . . . 39.18 110.151 179.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -70.49 -38.37 74.34 Favored 'General case' 0 C--O 1.197 -1.677 0 N-CA-C 109.072 -0.714 . . . . 38.12 109.072 -178.03 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 54.5 mt -61.47 -37.24 82.9 Favored 'General case' 0 C--O 1.247 0.944 0 O-C-N 120.274 -1.516 . . . . 18.86 109.156 178.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -66.44 -38.13 86.71 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 118.269 -0.872 . . . . 65.43 110.025 177.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.77 -47.7 84.61 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 123.806 0.691 . . . . 19.45 109.838 174.849 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 79.6 mt -64.35 -39.53 85.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-O 117.421 -1.276 . . . . 20.05 110.211 179.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.38 -41.04 88.43 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 108.007 -1.108 . . . . 22.35 108.007 179.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' TRP . . . . . . . . . . . . . 47.9 t-105 -67.2 -46.86 72.63 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 108.609 -0.886 . . . . 24.32 108.609 -178.883 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -54.82 -32.0 59.87 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-O 117.56 -1.209 . . . . 63.18 109.502 178.93 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -103.78 15.48 28.65 Favored 'General case' 0 N--CA 1.498 1.961 0 C-N-CA 127.705 2.402 . . . . 39.6 111.892 -177.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 11.6 ptmm? -54.85 -36.58 65.22 Favored 'General case' 0 C--O 1.269 2.1 0 C-N-CA 125.68 1.592 . . . . 42.91 111.653 -169.211 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ALA . . . . . 0.516 ' N ' ' O1S' ' B' ' 101' ' ' MES . . . . . . . . 0 C--N 1.34 0.167 0 O-C-N 124.018 0.823 . . . . 38.96 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.189 -2.097 . . . . . . . . 77.37 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -85.2 -66.29 1.44 Allowed Glycine 0 N--CA 1.491 2.353 0 O-C-N 120.708 -1.245 . . . . 56.42 111.042 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -56.57 -40.27 74.91 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.012 0.925 . . . . 52.55 111.33 179.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.1 mt -60.94 -40.75 94.43 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 120.747 -1.221 . . . . 18.33 110.125 179.034 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -67.64 -35.5 79.02 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 117.277 -1.344 . . . . 52.49 110.047 178.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.43 -41.94 88.44 Favored 'General case' 0 C--O 1.249 1.067 0 CA-C-N 120.007 1.276 . . . . 17.85 109.108 177.243 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 73.4 mt -63.5 -42.68 97.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 N-CA-C 109.238 -0.653 . . . . 18.28 109.238 178.198 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.91 -45.72 89.64 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 117.659 -1.163 . . . . 18.03 109.071 178.122 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -61.92 -40.55 95.86 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 118.759 0.709 . . . . 44.21 109.181 -179.39 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -62.42 -44.76 95.67 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 109.445 -0.576 . . . . 26.84 109.445 178.264 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 69.5 mt -62.65 -36.97 84.56 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 116.447 -1.74 . . . . 18.81 109.239 -178.377 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -65.04 -39.62 93.61 Favored 'General case' 0 C--O 1.267 1.993 0 CA-C-N 120.152 1.342 . . . . 55.19 108.547 178.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.15 -43.8 94.07 Favored 'General case' 0 C--O 1.255 1.391 0 N-CA-C 109.415 -0.587 . . . . 24.5 109.415 178.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 83.4 mt -62.76 -42.42 96.17 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 N-CA-C 108.471 -0.937 . . . . 23.23 108.471 178.63 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.47 -44.47 80.62 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-O 118.031 -0.985 . . . . 26.86 109.137 -179.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 46.1 mttt -58.71 -45.88 88.56 Favored 'General case' 0 C--O 1.265 1.898 0 O-C-N 124.63 1.206 . . . . 55.79 108.925 -179.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -67.06 -41.54 86.28 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 109.614 -0.513 . . . . 59.14 109.614 -177.373 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.5 mt -62.45 -35.47 79.41 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-O 117.208 -1.377 . . . . 32.49 110.6 -179.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -62.52 -41.06 98.6 Favored 'General case' 0 C--O 1.255 1.342 0 O-C-N 124.429 1.081 . . . . 71.52 108.875 179.145 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.66 -47.42 83.75 Favored 'General case' 0 C--O 1.25 1.127 0 O-C-N 124.288 0.993 . . . . 38.94 109.564 179.123 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 82.5 mt -62.22 -40.61 88.33 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 CA-C-O 117.697 -1.144 . . . . 45.79 109.097 -179.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.03 -43.55 66.68 Favored 'General case' 0 C--O 1.259 1.572 0 O-C-N 124.083 0.865 . . . . 41.6 109.325 -179.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 54.3 t-105 -66.63 -45.84 77.74 Favored 'General case' 0 N--CA 1.481 1.118 0 O-C-N 123.685 0.616 . . . . 57.92 109.929 -177.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -55.76 -40.53 72.71 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-O 117.808 -1.091 . . . . 70.03 109.599 177.636 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.489 0 C-N-CA 124.879 1.272 . . . . 50.81 . 178.495 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' MES . . . . . 0.516 ' O1S' ' N ' ' B' ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.204 -1.331 . . . . . . . . 59.47 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . -37.63 -64.89 0.69 Allowed Glycine 0 N--CA 1.497 2.755 0 O-C-N 126.399 2.312 . . . . 57.18 113.232 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -59.88 -48.07 83.18 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 124.455 1.102 . . . . 78.11 109.788 -171.234 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' LEU . . . . . 0.467 ' HB2' ' HB2' ' A' ' 21' ' ' ALA . 66.9 mt -67.65 -36.75 81.35 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-O 117.461 -1.256 . . . . 41.87 108.314 -176.051 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -65.04 -39.16 92.94 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-N 120.128 1.331 . . . . 57.99 109.743 175.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.94 -43.11 89.01 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-N 119.233 0.924 . . . . 28.74 108.932 179.198 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 74.6 mt -63.46 -42.66 97.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 N-CA-C 107.873 -1.158 . . . . 29.94 107.873 178.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.68 -48.37 79.71 Favored 'General case' 0 C--O 1.247 0.966 0 CA-C-N 118.924 0.783 . . . . 25.07 108.976 179.352 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 29.1 mm100 -59.95 -40.76 90.1 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 123.515 0.509 . . . . 60.64 110.077 178.386 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -63.49 -42.27 98.54 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 110.019 -0.363 . . . . 31.82 110.019 179.546 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 55.1 mt -63.19 -36.42 83.59 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-O 118.086 -0.959 . . . . 21.57 109.064 179.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -67.53 -38.23 83.91 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-N 119.354 0.979 . . . . 55.6 108.938 177.723 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.98 -43.72 98.02 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 109.136 -0.69 . . . . 21.52 109.136 177.464 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 73.4 mt -60.83 -47.97 90.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 N-CA-C 108.769 -0.826 . . . . 19.81 108.769 177.167 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.44 -44.22 76.14 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 117.769 -1.11 . . . . 17.03 110.241 -179.643 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -61.21 -41.39 96.76 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 124.503 1.127 . . . . 39.18 110.151 179.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -70.49 -38.37 74.34 Favored 'General case' 0 C--O 1.197 -1.677 0 N-CA-C 109.072 -0.714 . . . . 38.12 109.072 -178.03 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 54.5 mt -61.47 -37.24 82.9 Favored 'General case' 0 C--O 1.247 0.944 0 O-C-N 120.274 -1.516 . . . . 18.86 109.156 178.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -66.44 -38.13 86.71 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 118.269 -0.872 . . . . 65.43 110.025 177.567 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.77 -47.7 84.61 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 123.806 0.691 . . . . 19.45 109.838 174.849 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 79.6 mt -64.35 -39.53 85.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-O 117.421 -1.276 . . . . 20.05 110.211 179.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.38 -41.04 88.43 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 108.007 -1.108 . . . . 22.35 108.007 179.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' TRP . . . . . 0.477 ' CZ2' ' HE3' ' B' ' 25' ' ' LYS . 47.9 t-105 -67.2 -46.86 72.63 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 108.609 -0.886 . . . . 24.32 108.609 -178.883 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -54.82 -32.0 59.87 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-O 117.56 -1.209 . . . . 63.18 109.502 178.93 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -103.78 15.48 28.65 Favored 'General case' 0 N--CA 1.498 1.961 0 C-N-CA 127.705 2.402 . . . . 39.6 111.892 -177.906 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' LYS . . . . . 0.477 ' HE3' ' CZ2' ' B' ' 22' ' ' TRP . 11.6 ptmm? -54.85 -36.58 65.22 Favored 'General case' 0 C--O 1.269 2.1 0 C-N-CA 125.68 1.592 . . . . 42.91 111.653 -169.211 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ALA . . . . . 0.516 ' N ' ' O1S' ' B' ' 101' ' ' MES . . . . . . . . 0 C--N 1.34 0.167 0 O-C-N 124.018 0.823 . . . . 38.96 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.189 -2.097 . . . . . . . . 77.37 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -85.2 -66.29 1.44 Allowed Glycine 0 N--CA 1.491 2.353 0 O-C-N 120.708 -1.245 . . . . 56.42 111.042 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -56.57 -40.27 74.91 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.012 0.925 . . . . 52.55 111.33 179.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.1 mt -60.94 -40.75 94.43 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 120.747 -1.221 . . . . 18.33 110.125 179.034 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -67.64 -35.5 79.02 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 117.277 -1.344 . . . . 52.49 110.047 178.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.43 -41.94 88.44 Favored 'General case' 0 C--O 1.249 1.067 0 CA-C-N 120.007 1.276 . . . . 17.85 109.108 177.243 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 73.4 mt -63.5 -42.68 97.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 N-CA-C 109.238 -0.653 . . . . 18.28 109.238 178.198 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.91 -45.72 89.64 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 117.659 -1.163 . . . . 18.03 109.071 178.122 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -61.92 -40.55 95.86 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 118.759 0.709 . . . . 44.21 109.181 -179.39 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -62.42 -44.76 95.67 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 109.445 -0.576 . . . . 26.84 109.445 178.264 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 69.5 mt -62.65 -36.97 84.56 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 116.447 -1.74 . . . . 18.81 109.239 -178.377 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -65.04 -39.62 93.61 Favored 'General case' 0 C--O 1.267 1.993 0 CA-C-N 120.152 1.342 . . . . 55.19 108.547 178.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.15 -43.8 94.07 Favored 'General case' 0 C--O 1.255 1.391 0 N-CA-C 109.415 -0.587 . . . . 24.5 109.415 178.568 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 83.4 mt -62.76 -42.42 96.17 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 N-CA-C 108.471 -0.937 . . . . 23.23 108.471 178.63 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.47 -44.47 80.62 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-O 118.031 -0.985 . . . . 26.86 109.137 -179.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 46.1 mttt -58.71 -45.88 88.56 Favored 'General case' 0 C--O 1.265 1.898 0 O-C-N 124.63 1.206 . . . . 55.79 108.925 -179.8 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -67.06 -41.54 86.28 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 109.614 -0.513 . . . . 59.14 109.614 -177.373 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.5 mt -62.45 -35.47 79.41 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-O 117.208 -1.377 . . . . 32.49 110.6 -179.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -62.52 -41.06 98.6 Favored 'General case' 0 C--O 1.255 1.342 0 O-C-N 124.429 1.081 . . . . 71.52 108.875 179.145 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.66 -47.42 83.75 Favored 'General case' 0 C--O 1.25 1.127 0 O-C-N 124.288 0.993 . . . . 38.94 109.564 179.123 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 82.5 mt -62.22 -40.61 88.33 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 CA-C-O 117.697 -1.144 . . . . 45.79 109.097 -179.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ALA . . . . . 0.467 ' HB2' ' HB2' ' B' ' 3' ' ' LEU . . . -53.03 -43.55 66.68 Favored 'General case' 0 C--O 1.259 1.572 0 O-C-N 124.083 0.865 . . . . 41.6 109.325 -179.517 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 54.3 t-105 -66.63 -45.84 77.74 Favored 'General case' 0 N--CA 1.481 1.118 0 O-C-N 123.685 0.616 . . . . 57.92 109.929 -177.875 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -55.76 -40.53 72.71 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-O 117.808 -1.091 . . . . 70.03 109.599 177.636 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.489 0 C-N-CA 124.879 1.272 . . . . 50.81 . 178.495 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' MES . . . . . 0.516 ' O1S' ' N ' ' B' ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.204 -1.331 . . . . . . . . 59.469999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . -37.63 -64.89 0.69 Allowed Glycine 0 N--CA 1.497 2.755 0 O-C-N 126.399 2.312 . . . . 57.18 113.232 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -59.88 -48.07 83.18 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 124.455 1.102 . . . . 78.109999999999999 109.788 -171.234 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.467 ' HB2' ' HB2' ' A' ' 21' ' ' ALA . 66.9 mt -67.65 -36.75 81.35 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-O 117.461 -1.256 . . . . 41.869999999999997 108.314 -176.051 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -65.04 -39.16 92.94 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-N 120.128 1.331 . . . . 57.990000000000002 109.743 175.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.94 -43.11 89.01 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-N 119.233 0.924 . . . . 28.739999999999998 108.932 179.198 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 74.6 mt -63.46 -42.66 97.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 N-CA-C 107.873 -1.158 . . . . 29.940000000000001 107.873 178.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.68 -48.37 79.71 Favored 'General case' 0 C--O 1.247 0.966 0 CA-C-N 118.924 0.783 . . . . 25.07 108.976 179.352 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 29.1 mm100 -59.95 -40.76 90.1 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 123.515 0.509 . . . . 60.640000000000001 110.077 178.386 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -63.49 -42.27 98.54 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 110.019 -0.363 . . . . 31.82 110.019 179.546 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 55.1 mt -63.19 -36.42 83.59 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-O 118.086 -0.959 . . . . 21.57 109.064 179.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -67.53 -38.23 83.91 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-N 119.354 0.979 . . . . 55.600000000000001 108.938 177.723 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.98 -43.72 98.02 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 109.136 -0.69 . . . . 21.52 109.136 177.464 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 73.4 mt -60.83 -47.97 90.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 N-CA-C 108.769 -0.826 . . . . 19.809999999999999 108.769 177.167 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.44 -44.22 76.14 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 117.769 -1.11 . . . . 17.030000000000001 110.241 -179.643 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -61.21 -41.39 96.76 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 124.503 1.127 . . . . 39.18 110.151 179.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -70.49 -38.37 74.34 Favored 'General case' 0 C--O 1.197 -1.677 0 N-CA-C 109.072 -0.714 . . . . 38.119999999999997 109.072 -178.03 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 54.5 mt -61.47 -37.24 82.9 Favored 'General case' 0 C--O 1.247 0.944 0 O-C-N 120.274 -1.516 . . . . 18.859999999999999 109.156 178.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -66.44 -38.13 86.71 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 118.269 -0.872 . . . . 65.430000000000007 110.025 177.567 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.77 -47.7 84.61 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 123.806 0.691 . . . . 19.449999999999999 109.838 174.849 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 79.6 mt -64.35 -39.53 85.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-O 117.421 -1.276 . . . . 20.050000000000001 110.211 179.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.38 -41.04 88.43 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 108.007 -1.108 . . . . 22.350000000000001 108.007 179.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' TRP . . . . . 0.477 ' CZ2' ' HE3' ' B' ' 25' ' ' LYS . 47.9 t-105 -67.2 -46.86 72.63 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 108.609 -0.886 . . . . 24.32 108.609 -178.883 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -54.82 -32.0 59.87 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-O 117.56 -1.209 . . . . 63.18 109.502 178.93 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' HIS . . . . . 0.501 ' HD2' ' O ' ' A' ' 110' ' ' HOH . 1.1 m-70 -103.78 15.48 28.65 Favored 'General case' 0 N--CA 1.498 1.961 0 C-N-CA 127.705 2.402 . . . . 39.600000000000001 111.892 -177.906 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.477 ' HE3' ' CZ2' ' B' ' 22' ' ' TRP . 11.6 ptmm? -54.85 -36.58 65.22 Favored 'General case' 0 C--O 1.269 2.1 0 C-N-CA 125.68 1.592 . . . . 42.909999999999997 111.653 -169.211 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.516 ' N ' ' O1S' ' B' ' 101' ' ' MES . . . . . . . . 0 C--N 1.34 0.167 0 O-C-N 124.018 0.823 . . . . 38.960000000000001 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.189 -2.097 . . . . . . . . 77.370000000000005 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -85.2 -66.29 1.44 Allowed Glycine 0 N--CA 1.491 2.353 0 O-C-N 120.708 -1.245 . . . . 56.420000000000002 111.042 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -56.57 -40.27 74.91 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.012 0.925 . . . . 52.549999999999997 111.33 179.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.1 mt -60.94 -40.75 94.43 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 120.747 -1.221 . . . . 18.329999999999998 110.125 179.034 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -67.64 -35.5 79.02 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 117.277 -1.344 . . . . 52.490000000000002 110.047 178.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.43 -41.94 88.44 Favored 'General case' 0 C--O 1.249 1.067 0 CA-C-N 120.007 1.276 . . . . 17.850000000000001 109.108 177.243 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 73.4 mt -63.5 -42.68 97.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 N-CA-C 109.238 -0.653 . . . . 18.280000000000001 109.238 178.198 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.91 -45.72 89.64 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 117.659 -1.163 . . . . 18.030000000000001 109.071 178.122 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -61.92 -40.55 95.86 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 118.759 0.709 . . . . 44.210000000000001 109.181 -179.39 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -62.42 -44.76 95.67 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 109.445 -0.576 . . . . 26.84 109.445 178.264 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 69.5 mt -62.65 -36.97 84.56 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 116.447 -1.74 . . . . 18.809999999999999 109.239 -178.377 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -65.04 -39.62 93.61 Favored 'General case' 0 C--O 1.267 1.993 0 CA-C-N 120.152 1.342 . . . . 55.189999999999998 108.547 178.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.15 -43.8 94.07 Favored 'General case' 0 C--O 1.255 1.391 0 N-CA-C 109.415 -0.587 . . . . 24.5 109.415 178.568 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 83.4 mt -62.76 -42.42 96.17 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 N-CA-C 108.471 -0.937 . . . . 23.23 108.471 178.63 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.47 -44.47 80.62 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-O 118.031 -0.985 . . . . 26.859999999999999 109.137 -179.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 46.1 mttt -58.71 -45.88 88.56 Favored 'General case' 0 C--O 1.265 1.898 0 O-C-N 124.63 1.206 . . . . 55.789999999999999 108.925 -179.8 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -67.06 -41.54 86.28 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 109.614 -0.513 . . . . 59.140000000000001 109.614 -177.373 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.5 mt -62.45 -35.47 79.41 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-O 117.208 -1.377 . . . . 32.490000000000002 110.6 -179.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -62.52 -41.06 98.6 Favored 'General case' 0 C--O 1.255 1.342 0 O-C-N 124.429 1.081 . . . . 71.519999999999996 108.875 179.145 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.66 -47.42 83.75 Favored 'General case' 0 C--O 1.25 1.127 0 O-C-N 124.288 0.993 . . . . 38.939999999999998 109.564 179.123 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 82.5 mt -62.22 -40.61 88.33 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 CA-C-O 117.697 -1.144 . . . . 45.789999999999999 109.097 -179.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.467 ' HB2' ' HB2' ' B' ' 3' ' ' LEU . . . -53.03 -43.55 66.68 Favored 'General case' 0 C--O 1.259 1.572 0 O-C-N 124.083 0.865 . . . . 41.600000000000001 109.325 -179.517 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 54.3 t-105 -66.63 -45.84 77.74 Favored 'General case' 0 N--CA 1.481 1.118 0 O-C-N 123.685 0.616 . . . . 57.920000000000002 109.929 -177.875 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -55.76 -40.53 72.71 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-O 117.808 -1.091 . . . . 70.030000000000001 109.599 177.636 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.489 0 C-N-CA 124.879 1.272 . . . . 50.810000000000002 . 178.495 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' MES . . . . . 0.516 ' O1S' ' N ' ' B' ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . 0.501 ' O ' ' HD2' ' B' ' 24' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_