data_5eoj_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 5eoj _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.101 . . . . . . . . 126.95 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -65.7 -4.74 6.87 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.586 0.587 . . . . 194.03 112.586 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 20.6 mt -72.71 -36.18 67.75 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 119.436 -0.906 . . . . 85.920000000000002 110.268 164.315 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -53.08 -38.87 62.89 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.574 -0.45 . . . . 151.13999999999999 110.458 166.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.14 -39.77 65.43 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.811 -0.355 . . . . 79.819999999999993 111.333 179.633 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.0 mm -56.54 -48.89 79.63 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-O 121.302 0.572 . . . . 121.95999999999999 109.937 172.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.73 -46.07 90.25 Favored 'General case' 0 C--O 1.237 0.42 0 O-C-N 122.134 -0.353 . . . . 69.030000000000001 111.349 -176.245 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -58.52 -34.05 70.54 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.257 -0.577 . . . . 139.13 111.639 178.138 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -73.24 -35.47 66.26 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.1 -0.64 . . . . 217.25 111.234 -177.108 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -70.3 -31.62 69.03 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 119.76 -0.776 . . . . 76.870000000000005 111.144 173.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -58.07 -39.11 77.7 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.546 -0.462 . . . . 143.87 110.91 174.158 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.57 -38.3 62.71 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.742 -0.383 . . . . 83.810000000000002 111.36 179.836 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.8 mt -55.48 -50.58 65.04 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 CA-C-O 121.233 0.539 . . . . 65.829999999999998 109.973 175.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.07 -41.15 78.27 Favored 'General case' 0 C--O 1.237 0.405 0 O-C-N 121.924 -0.485 . . . . 105.76000000000001 111.306 179.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.74 -35.57 81.03 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 119.976 -0.69 . . . . 243.09 111.093 179.971 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -73.45 -37.44 65.83 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.58 -0.448 . . . . 184.97999999999999 111.547 -179.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -71.41 -27.14 63.09 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 119.933 -0.707 . . . . 62.909999999999997 111.642 178.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -68.89 -36.05 77.59 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 119.966 -0.693 . . . . 170.06 110.845 176.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.82 -37.95 76.39 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.521 -0.471 . . . . 97.890000000000001 111.082 175.737 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 92.5 mt -61.61 -34.12 60.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 C-N-CA 120.53 -0.468 . . . . 72.689999999999998 110.505 178.084 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.01 -43.06 83.82 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.955 -0.465 . . . . 70.599999999999994 110.535 -179.438 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -69.03 -49.44 57.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.059 -0.519 . . . . 101.45999999999999 112.025 -176.168 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -62.85 -46.79 86.27 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.05 -0.66 . . . . 104.0 110.946 -179.943 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt -56.96 -41.82 79.03 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.188 -0.605 . . . . 186.03 110.972 177.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.15 -42.53 86.13 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.286 -0.565 . . . . 132.40000000000001 110.772 176.211 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 81.1 mt -63.85 -45.89 95.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 CA-C-O 121.138 0.495 . . . . 98.120000000000005 109.932 174.929 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.54 -15.82 52.8 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 112.309 0.485 . . . . 124.12 112.309 -179.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.3 tm0? -91.9 51.35 1.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.726 -0.472 . . . . 131.62 109.726 178.417 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LYN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.044 . . . . . . . . 108.61 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 54.5 mp0 -113.0 -30.49 6.99 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.517 0.198 . . . . 168.25999999999999 111.228 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 45.4 mt -56.63 -39.32 73.46 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.198 -0.601 . . . . 133.68000000000001 110.782 174.365 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 53.5 tttt -62.76 -36.36 82.81 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 121.024 -0.271 . . . . 174.09 110.942 176.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.65 -33.49 64.52 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 120.396 -0.522 . . . . 84.290000000000006 111.278 178.575 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 8.6 mm -59.85 -38.59 76.94 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 CA-C-O 121.03 0.443 . . . . 114.14 110.095 175.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.84 -46.36 75.32 Favored 'General case' 0 C--O 1.238 0.457 0 O-C-N 121.932 -0.48 . . . . 59.210000000000001 111.384 -174.28 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -66.79 -30.16 70.29 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 120.256 -0.578 . . . . 108.47 111.463 -179.926 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -68.52 -43.19 77.29 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 120.178 -0.609 . . . . 178.58000000000001 110.779 179.378 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -67.86 -31.56 71.46 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.116 -0.633 . . . . 86.659999999999997 111.485 177.654 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -63.58 -40.93 98.21 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.228 -0.589 . . . . 165.77000000000001 110.713 173.118 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.01 -31.37 71.01 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.54 -0.464 . . . . 58.770000000000003 111.737 177.542 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 81.4 mt -69.13 -47.81 72.61 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 CA-C-O 120.989 0.423 . . . . 81.030000000000001 110.296 178.188 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.08 -40.67 67.42 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.521 -0.472 . . . . 51.899999999999999 110.979 178.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 21.6 ttmt -61.39 -48.06 82.95 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 120.821 0.343 . . . . 223.46000000000001 110.976 179.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -60.24 -41.86 94.03 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.916 -0.314 . . . . 184.06999999999999 111.633 179.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -69.48 -29.96 67.73 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 119.759 -0.777 . . . . 78.989999999999995 111.718 179.406 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 47.2 tttt -64.93 -41.34 95.62 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 119.768 -0.773 . . . . 86.030000000000001 110.535 175.248 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.1 -36.56 77.67 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.817 -0.353 . . . . 59.57 111.303 179.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 36.7 mt -60.37 -45.13 97.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 CA-C-O 121.253 0.549 . . . . 90.599999999999994 110.165 178.208 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.01 -48.06 73.85 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.002 -0.436 . . . . 63.909999999999997 111.822 -178.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -56.88 -60.76 3.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.326 -0.397 . . . . 84.75 110.787 178.824 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -54.41 -35.59 63.07 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.18 -0.608 . . . . 89.060000000000002 111.278 179.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' LYS . . . . . 0.424 ' NZ ' ' O ' ' B' ' 101' ' ' HOH . 19.8 ttpt -62.61 -26.23 68.51 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.151 -0.62 . . . . 120.65000000000001 111.343 177.311 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.1 -31.06 23.55 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 112.668 0.618 . . . . 107.91 112.668 178.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 3.7 mp -68.8 -40.75 81.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 C-N-CA 119.9 -0.72 . . . . 118.51000000000001 109.852 171.856 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.69 -36.12 82.74 Favored 'General case' 0 C--O 1.237 0.426 0 O-C-N 121.967 -0.458 . . . . 114.91 111.128 178.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' GLN . . . . . 0.422 ' O ' ' O ' ' B' ' 30' ' ' LYN . 0.4 OUTLIER -89.22 67.11 7.83 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.751 -0.463 . . . . 236.91999999999999 109.751 175.457 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' LYN . . . . . 0.422 ' O ' ' O ' ' B' ' 29' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 . . . . . . . . 127.79000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -75.95 -25.84 56.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.877 0.37 . . . . 157.28 110.523 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 77.2 mt -74.08 -21.55 59.86 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 120.627 -0.429 . . . . 139.72 112.127 174.199 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -59.44 -48.58 81.08 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.502 -0.479 . . . . 143.80000000000001 110.921 176.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.57 -37.0 74.83 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 120.728 -0.389 . . . . 84.379999999999995 111.166 178.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 81.5 mt -65.71 -40.93 89.29 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 CA-C-O 121.054 0.454 . . . . 77.129999999999995 110.071 175.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.68 -48.56 81.24 Favored 'General case' 0 C--O 1.237 0.402 0 O-C-N 121.971 -0.456 . . . . 75.260000000000005 110.874 179.677 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -62.13 -34.15 75.81 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.241 -0.584 . . . . 160.41 111.393 179.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -72.95 -35.92 67.06 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.446 -0.502 . . . . 86.060000000000002 111.444 -175.168 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -69.81 -31.81 69.9 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 119.965 -0.694 . . . . 80.909999999999997 111.304 173.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 36.4 tttp -62.71 -40.17 96.34 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.975 -0.29 . . . . 124.23 110.832 174.431 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.13 -32.05 69.88 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.505 -0.478 . . . . 87.870000000000005 111.67 176.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 80.9 mt -67.28 -42.97 88.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 C-N-CA 120.599 -0.44 . . . . 117.98 110.354 178.348 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.15 -42.23 94.46 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.151 -0.62 . . . . 56.979999999999997 110.94 177.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -54.99 -37.2 66.27 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.657 -0.417 . . . . 161.74000000000001 111.341 176.083 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -77.21 -39.21 49.48 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 112.09 0.404 . . . . 131.12 112.09 -175.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 17' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -69.59 -29.18 66.64 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 119.921 -0.712 . . . . 64.040000000000006 111.433 178.25 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -61.67 -42.25 98.66 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.405 -0.518 . . . . 134.09 110.748 173.749 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.01 -36.01 74.79 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.446 -0.502 . . . . 63.030000000000001 111.267 179.559 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 76.5 mt -63.13 -44.33 99.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 C-N-CA 120.496 -0.482 . . . . 63.43 110.385 178.113 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.04 -46.57 85.12 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 121.933 -0.48 . . . . 95.879999999999995 110.306 177.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 22' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -76.44 -44.32 36.23 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.389 0.514 . . . . 118.33 112.389 -177.289 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -66.23 -28.31 68.64 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 119.532 -0.867 . . . . 83.140000000000001 111.377 178.684 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 14.5 tttm -67.02 -47.78 70.37 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.449 -0.501 . . . . 129.62 110.858 177.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.0 -23.48 67.23 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 120.518 -0.473 . . . . 100.95 111.716 175.437 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 27' ' ' ILE . . . . . . . . . . . . . 42.7 mt -74.57 -47.64 38.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-O 120.94 0.4 . . . . 93.75 110.314 172.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.25 -10.37 31.51 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 112.58 0.585 . . . . 72.920000000000002 112.58 177.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -80.96 7.32 10.96 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 118.281 0.491 . . . . 120.03 112.125 176.591 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 30' ' ' LYN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' HOH . . . . . 0.424 ' O ' ' NZ ' ' B' ' 25' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.101 . . . . . . . . 126.95 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -65.7 -4.74 6.87 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.586 0.587 . . . . 161.69 112.586 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 20.6 mt -72.71 -36.18 67.75 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 119.436 -0.906 . . . . 78.099999999999994 110.268 164.315 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -53.08 -38.87 62.89 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.574 -0.45 . . . . 125.95 110.458 166.459 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.14 -39.77 65.43 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.811 -0.355 . . . . 66.519999999999996 111.333 179.633 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.0 mm -56.54 -48.89 79.63 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-O 121.302 0.572 . . . . 101.63 109.937 172.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.73 -46.07 90.25 Favored 'General case' 0 C--O 1.237 0.42 0 O-C-N 122.134 -0.353 . . . . 57.530000000000001 111.349 -176.245 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -58.52 -34.05 70.54 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.257 -0.577 . . . . 124.36 111.639 178.138 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -73.24 -35.47 66.26 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.1 -0.64 . . . . 217.25 111.234 -177.108 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -70.3 -31.62 69.03 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 119.76 -0.776 . . . . 64.060000000000002 111.144 173.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -58.07 -39.11 77.7 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.546 -0.462 . . . . 119.89 110.91 174.158 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.57 -38.3 62.71 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.742 -0.383 . . . . 69.840000000000003 111.36 179.836 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.8 mt -55.48 -50.58 65.04 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 CA-C-O 121.233 0.539 . . . . 54.859999999999999 109.973 175.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.07 -41.15 78.27 Favored 'General case' 0 C--O 1.237 0.405 0 O-C-N 121.924 -0.485 . . . . 88.140000000000001 111.306 179.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.74 -35.57 81.03 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 119.976 -0.69 . . . . 202.58000000000001 111.093 179.971 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -73.45 -37.44 65.83 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.58 -0.448 . . . . 184.97999999999999 111.547 -179.0 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -71.41 -27.14 63.09 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 119.933 -0.707 . . . . 52.920000000000002 111.642 178.469 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -68.89 -36.05 77.59 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 119.966 -0.693 . . . . 141.72 110.845 176.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.82 -37.95 76.39 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.521 -0.471 . . . . 81.569999999999993 111.082 175.737 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 92.5 mt -61.61 -34.12 60.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 C-N-CA 120.53 -0.468 . . . . 60.57 110.505 178.084 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.01 -43.06 83.82 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.955 -0.465 . . . . 70.599999999999994 110.535 -179.438 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -69.03 -49.44 57.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.059 -0.519 . . . . 84.549999999999997 112.025 -176.168 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -62.85 -46.79 86.27 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.05 -0.66 . . . . 86.670000000000002 110.946 -179.943 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt -56.96 -41.82 79.03 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.188 -0.605 . . . . 155.02000000000001 110.972 177.32 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.15 -42.53 86.13 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.286 -0.565 . . . . 114.79000000000001 110.772 176.211 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 81.1 mt -63.85 -45.89 95.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 CA-C-O 121.138 0.495 . . . . 83.340000000000003 109.932 174.929 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.54 -15.82 52.8 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 112.309 0.485 . . . . 124.12 112.309 -179.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.3 tm0? -91.9 51.35 1.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.726 -0.472 . . . . 109.69 109.726 178.417 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LYN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.044 . . . . . . . . 108.61 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 54.5 mp0 -113.0 -30.49 6.99 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.517 0.198 . . . . 168.25999999999999 111.228 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 45.4 mt -56.63 -39.32 73.46 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.198 -0.601 . . . . 111.40000000000001 110.782 174.365 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 53.5 tttt -62.76 -36.36 82.81 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 121.024 -0.271 . . . . 145.06999999999999 110.942 176.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.65 -33.49 64.52 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 120.396 -0.522 . . . . 70.25 111.278 178.575 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 8.6 mm -59.85 -38.59 76.94 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 CA-C-O 121.03 0.443 . . . . 95.120000000000005 110.095 175.469 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.84 -46.36 75.32 Favored 'General case' 0 C--O 1.238 0.457 0 O-C-N 121.932 -0.48 . . . . 49.340000000000003 111.384 -174.28 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -66.79 -30.16 70.29 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 120.256 -0.578 . . . . 93.239999999999995 111.463 -179.926 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -68.52 -43.19 77.29 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 120.178 -0.609 . . . . 178.58000000000001 110.779 179.378 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -67.86 -31.56 71.46 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.116 -0.633 . . . . 72.219999999999999 111.485 177.654 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -63.58 -40.93 98.21 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.228 -0.589 . . . . 138.15000000000001 110.713 173.118 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.01 -31.37 71.01 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.54 -0.464 . . . . 56.560000000000002 111.737 177.542 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 81.4 mt -69.13 -47.81 72.61 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 CA-C-O 120.989 0.423 . . . . 67.530000000000001 110.296 178.188 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.08 -40.67 67.42 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.521 -0.472 . . . . 51.899999999999999 110.979 178.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 21.6 ttmt -61.39 -48.06 82.95 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 120.821 0.343 . . . . 186.22 110.976 179.337 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -60.24 -41.86 94.03 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.916 -0.314 . . . . 184.06999999999999 111.633 179.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -69.48 -29.96 67.73 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 119.759 -0.777 . . . . 65.819999999999993 111.718 179.406 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 47.2 tttt -64.93 -41.34 95.62 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 119.768 -0.773 . . . . 71.689999999999998 110.535 175.248 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.1 -36.56 77.67 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.817 -0.353 . . . . 59.219999999999999 111.303 179.973 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 36.7 mt -60.37 -45.13 97.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 CA-C-O 121.253 0.549 . . . . 75.5 110.165 178.208 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.01 -48.06 73.85 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.002 -0.436 . . . . 53.259999999999998 111.822 -178.813 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -56.88 -60.76 3.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.326 -0.397 . . . . 84.75 110.787 178.824 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -54.41 -35.59 63.07 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.18 -0.608 . . . . 74.219999999999999 111.278 179.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' LYS . . . . . 0.424 ' NZ ' ' O ' ' B' ' 101' ' ' HOH . 19.8 ttpt -62.61 -26.23 68.51 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.151 -0.62 . . . . 100.54000000000001 111.343 177.311 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.1 -31.06 23.55 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 112.668 0.618 . . . . 89.920000000000002 112.668 178.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 3.7 mp -68.8 -40.75 81.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 C-N-CA 119.9 -0.72 . . . . 98.760000000000005 109.852 171.856 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.69 -36.12 82.74 Favored 'General case' 0 C--O 1.237 0.426 0 O-C-N 121.967 -0.458 . . . . 114.91 111.128 178.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' GLN . . . . . 0.422 ' O ' ' O ' ' B' ' 30' ' ' LYN . 0.4 OUTLIER -89.22 67.11 7.83 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.751 -0.463 . . . . 197.43000000000001 109.751 175.457 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 30' ' ' LYN . . . . . 0.422 ' O ' ' O ' ' B' ' 29' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 . . . . . . . . 127.79000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -75.95 -25.84 56.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.877 0.37 . . . . 157.28 110.523 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 77.2 mt -74.08 -21.55 59.86 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 120.627 -0.429 . . . . 116.43000000000001 112.127 174.199 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -59.44 -48.58 81.08 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.502 -0.479 . . . . 119.83 110.921 176.862 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.57 -37.0 74.83 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 120.728 -0.389 . . . . 70.310000000000002 111.166 178.819 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 81.5 mt -65.71 -40.93 89.29 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 CA-C-O 121.054 0.454 . . . . 64.280000000000001 110.071 175.333 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.68 -48.56 81.24 Favored 'General case' 0 C--O 1.237 0.402 0 O-C-N 121.971 -0.456 . . . . 63.359999999999999 110.874 179.677 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 8' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -62.13 -34.15 75.81 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.241 -0.584 . . . . 146.69999999999999 111.393 179.788 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -72.95 -35.92 67.06 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.446 -0.502 . . . . 86.060000000000002 111.444 -175.168 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -69.81 -31.81 69.9 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 119.965 -0.694 . . . . 67.420000000000002 111.304 173.847 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 36.4 tttp -62.71 -40.17 96.34 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.975 -0.29 . . . . 103.53 110.832 174.431 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.13 -32.05 69.88 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.505 -0.478 . . . . 73.219999999999999 111.67 176.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 80.9 mt -67.28 -42.97 88.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 C-N-CA 120.599 -0.44 . . . . 98.319999999999993 110.354 178.348 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.15 -42.23 94.46 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.151 -0.62 . . . . 51.600000000000001 110.94 177.459 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -54.99 -37.2 66.27 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.657 -0.417 . . . . 134.78 111.341 176.083 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -77.21 -39.21 49.48 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 112.09 0.404 . . . . 131.12 112.09 -175.794 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 17' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -69.59 -29.18 66.64 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 119.921 -0.712 . . . . 53.369999999999997 111.433 178.25 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -61.67 -42.25 98.66 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.405 -0.518 . . . . 111.73999999999999 110.748 173.749 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.01 -36.01 74.79 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.446 -0.502 . . . . 54.840000000000003 111.267 179.559 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 76.5 mt -63.13 -44.33 99.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 C-N-CA 120.496 -0.482 . . . . 52.960000000000001 110.385 178.113 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.04 -46.57 85.12 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 121.933 -0.48 . . . . 79.900000000000006 110.306 177.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 22' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -76.44 -44.32 36.23 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.389 0.514 . . . . 118.33 112.389 -177.289 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -66.23 -28.31 68.64 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 119.532 -0.867 . . . . 69.290000000000006 111.377 178.684 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 14.5 tttm -67.02 -47.78 70.37 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.449 -0.501 . . . . 108.01000000000001 110.858 177.511 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.0 -23.48 67.23 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 120.518 -0.473 . . . . 84.129999999999995 111.716 175.437 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 27' ' ' ILE . . . . . . . . . . . . . 42.7 mt -74.57 -47.64 38.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-O 120.94 0.4 . . . . 78.120000000000005 110.314 172.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.25 -10.37 31.51 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 112.58 0.585 . . . . 72.920000000000002 112.58 177.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -80.96 7.32 10.96 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 118.281 0.491 . . . . 103.23999999999999 112.125 176.591 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 30' ' ' LYN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' HOH . . . . . 0.424 ' O ' ' NZ ' ' B' ' 25' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.101 . . . . . . . . 126.95 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -65.7 -4.74 6.87 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.586 0.587 . . . . 161.69 112.586 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 20.6 mt -72.71 -36.18 67.75 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 119.436 -0.906 . . . . 78.099999999999994 110.268 164.315 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -53.08 -38.87 62.89 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.574 -0.45 . . . . 125.95 110.458 166.459 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.14 -39.77 65.43 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.811 -0.355 . . . . 66.519999999999996 111.333 179.633 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.0 mm -56.54 -48.89 79.63 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-O 121.302 0.572 . . . . 101.63 109.937 172.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.73 -46.07 90.25 Favored 'General case' 0 C--O 1.237 0.42 0 O-C-N 122.134 -0.353 . . . . 57.530000000000001 111.349 -176.245 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -58.52 -34.05 70.54 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.257 -0.577 . . . . 124.36 111.639 178.138 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -73.24 -35.47 66.26 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.1 -0.64 . . . . 217.25 111.234 -177.108 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -70.3 -31.62 69.03 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 119.76 -0.776 . . . . 64.060000000000002 111.144 173.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -58.07 -39.11 77.7 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.546 -0.462 . . . . 119.89 110.91 174.158 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.57 -38.3 62.71 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.742 -0.383 . . . . 69.840000000000003 111.36 179.836 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.8 mt -55.48 -50.58 65.04 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 CA-C-O 121.233 0.539 . . . . 54.859999999999999 109.973 175.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.07 -41.15 78.27 Favored 'General case' 0 C--O 1.237 0.405 0 O-C-N 121.924 -0.485 . . . . 88.140000000000001 111.306 179.76 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.74 -35.57 81.03 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 119.976 -0.69 . . . . 202.58000000000001 111.093 179.971 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -73.45 -37.44 65.83 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.58 -0.448 . . . . 184.97999999999999 111.547 -179.0 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -71.41 -27.14 63.09 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 119.933 -0.707 . . . . 52.920000000000002 111.642 178.469 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -68.89 -36.05 77.59 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 119.966 -0.693 . . . . 141.72 110.845 176.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.82 -37.95 76.39 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.521 -0.471 . . . . 81.569999999999993 111.082 175.737 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 92.5 mt -61.61 -34.12 60.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 C-N-CA 120.53 -0.468 . . . . 60.57 110.505 178.084 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.01 -43.06 83.82 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.955 -0.465 . . . . 70.599999999999994 110.535 -179.438 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -69.03 -49.44 57.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.059 -0.519 . . . . 84.549999999999997 112.025 -176.168 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -62.85 -46.79 86.27 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.05 -0.66 . . . . 86.670000000000002 110.946 -179.943 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt -56.96 -41.82 79.03 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.188 -0.605 . . . . 155.02000000000001 110.972 177.32 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.15 -42.53 86.13 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.286 -0.565 . . . . 114.79000000000001 110.772 176.211 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 81.1 mt -63.85 -45.89 95.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 CA-C-O 121.138 0.495 . . . . 83.340000000000003 109.932 174.929 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.54 -15.82 52.8 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 112.309 0.485 . . . . 124.12 112.309 -179.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.3 tm0? -91.9 51.35 1.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.726 -0.472 . . . . 109.69 109.726 178.417 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LYN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.044 . . . . . . . . 108.61 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 54.5 mp0 -113.0 -30.49 6.99 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.517 0.198 . . . . 168.25999999999999 111.228 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 45.4 mt -56.63 -39.32 73.46 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.198 -0.601 . . . . 111.40000000000001 110.782 174.365 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 53.5 tttt -62.76 -36.36 82.81 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 121.024 -0.271 . . . . 145.06999999999999 110.942 176.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.65 -33.49 64.52 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 120.396 -0.522 . . . . 70.25 111.278 178.575 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 8.6 mm -59.85 -38.59 76.94 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 CA-C-O 121.03 0.443 . . . . 95.120000000000005 110.095 175.469 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.84 -46.36 75.32 Favored 'General case' 0 C--O 1.238 0.457 0 O-C-N 121.932 -0.48 . . . . 49.340000000000003 111.384 -174.28 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -66.79 -30.16 70.29 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 120.256 -0.578 . . . . 93.239999999999995 111.463 -179.926 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -68.52 -43.19 77.29 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 120.178 -0.609 . . . . 178.58000000000001 110.779 179.378 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -67.86 -31.56 71.46 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.116 -0.633 . . . . 72.219999999999999 111.485 177.654 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -63.58 -40.93 98.21 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.228 -0.589 . . . . 138.15000000000001 110.713 173.118 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.01 -31.37 71.01 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.54 -0.464 . . . . 56.560000000000002 111.737 177.542 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 81.4 mt -69.13 -47.81 72.61 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 CA-C-O 120.989 0.423 . . . . 67.530000000000001 110.296 178.188 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.08 -40.67 67.42 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.521 -0.472 . . . . 51.899999999999999 110.979 178.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 21.6 ttmt -61.39 -48.06 82.95 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 120.821 0.343 . . . . 186.22 110.976 179.337 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -60.24 -41.86 94.03 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.916 -0.314 . . . . 184.06999999999999 111.633 179.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -69.48 -29.96 67.73 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 119.759 -0.777 . . . . 65.819999999999993 111.718 179.406 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 47.2 tttt -64.93 -41.34 95.62 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 119.768 -0.773 . . . . 71.689999999999998 110.535 175.248 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.1 -36.56 77.67 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.817 -0.353 . . . . 59.219999999999999 111.303 179.973 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 36.7 mt -60.37 -45.13 97.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 CA-C-O 121.253 0.549 . . . . 75.5 110.165 178.208 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.01 -48.06 73.85 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.002 -0.436 . . . . 53.259999999999998 111.822 -178.813 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -56.88 -60.76 3.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.326 -0.397 . . . . 84.75 110.787 178.824 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -54.41 -35.59 63.07 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.18 -0.608 . . . . 74.219999999999999 111.278 179.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.424 ' NZ ' ' O ' ' B' ' 101' ' ' HOH . 19.8 ttpt -62.61 -26.23 68.51 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.151 -0.62 . . . . 100.54000000000001 111.343 177.311 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.1 -31.06 23.55 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 112.668 0.618 . . . . 89.920000000000002 112.668 178.76 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 3.7 mp -68.8 -40.75 81.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 C-N-CA 119.9 -0.72 . . . . 98.760000000000005 109.852 171.856 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.69 -36.12 82.74 Favored 'General case' 0 C--O 1.237 0.426 0 O-C-N 121.967 -0.458 . . . . 114.91 111.128 178.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' GLN . . . . . 0.422 ' O ' ' O ' ' B' ' 30' ' ' LYN . 0.4 OUTLIER -89.22 67.11 7.83 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.751 -0.463 . . . . 197.43000000000001 109.751 175.457 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' LYN . . . . . 0.422 ' O ' ' O ' ' B' ' 29' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 . . . . . . . . 127.79000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -75.95 -25.84 56.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.877 0.37 . . . . 157.28 110.523 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 77.2 mt -74.08 -21.55 59.86 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 120.627 -0.429 . . . . 116.43000000000001 112.127 174.199 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -59.44 -48.58 81.08 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.502 -0.479 . . . . 119.83 110.921 176.862 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.57 -37.0 74.83 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 120.728 -0.389 . . . . 70.310000000000002 111.166 178.819 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 81.5 mt -65.71 -40.93 89.29 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 CA-C-O 121.054 0.454 . . . . 64.280000000000001 110.071 175.333 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.68 -48.56 81.24 Favored 'General case' 0 C--O 1.237 0.402 0 O-C-N 121.971 -0.456 . . . . 63.359999999999999 110.874 179.677 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -62.13 -34.15 75.81 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.241 -0.584 . . . . 146.69999999999999 111.393 179.788 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -72.95 -35.92 67.06 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.446 -0.502 . . . . 86.060000000000002 111.444 -175.168 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -69.81 -31.81 69.9 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 119.965 -0.694 . . . . 67.420000000000002 111.304 173.847 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 36.4 tttp -62.71 -40.17 96.34 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.975 -0.29 . . . . 103.53 110.832 174.431 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.13 -32.05 69.88 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.505 -0.478 . . . . 73.219999999999999 111.67 176.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 80.9 mt -67.28 -42.97 88.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 C-N-CA 120.599 -0.44 . . . . 98.319999999999993 110.354 178.348 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.15 -42.23 94.46 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.151 -0.62 . . . . 51.600000000000001 110.94 177.459 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -54.99 -37.2 66.27 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.657 -0.417 . . . . 134.78 111.341 176.083 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -77.21 -39.21 49.48 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 112.09 0.404 . . . . 131.12 112.09 -175.794 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 17' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -69.59 -29.18 66.64 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 119.921 -0.712 . . . . 53.369999999999997 111.433 178.25 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -61.67 -42.25 98.66 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.405 -0.518 . . . . 111.73999999999999 110.748 173.749 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.01 -36.01 74.79 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.446 -0.502 . . . . 54.840000000000003 111.267 179.559 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 76.5 mt -63.13 -44.33 99.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 C-N-CA 120.496 -0.482 . . . . 52.960000000000001 110.385 178.113 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.04 -46.57 85.12 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 121.933 -0.48 . . . . 79.900000000000006 110.306 177.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 22' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -76.44 -44.32 36.23 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.389 0.514 . . . . 118.33 112.389 -177.289 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -66.23 -28.31 68.64 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 119.532 -0.867 . . . . 69.290000000000006 111.377 178.684 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 14.5 tttm -67.02 -47.78 70.37 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.449 -0.501 . . . . 108.01000000000001 110.858 177.511 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.0 -23.48 67.23 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 120.518 -0.473 . . . . 84.129999999999995 111.716 175.437 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 27' ' ' ILE . . . . . . . . . . . . . 42.7 mt -74.57 -47.64 38.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-O 120.94 0.4 . . . . 78.120000000000005 110.314 172.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.25 -10.37 31.51 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 112.58 0.585 . . . . 72.920000000000002 112.58 177.535 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -80.96 7.32 10.96 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 118.281 0.491 . . . . 103.23999999999999 112.125 176.591 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 30' ' ' LYN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' HOH . . . . . 0.424 ' O ' ' NZ ' ' B' ' 25' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_