data_1opy_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 1opy _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 ' 2' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.028 0 N-CA-C 107.918 -1.142 . . . . 54.78 107.918 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 15.6 tp -66.71 116.61 36.55 Favored Pre-proline 0 C--O 1.241 0.647 0 N-CA-C 104.964 -2.235 . . . . 45.35 104.964 178.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -55.21 139.5 80.8 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 N-CA-C 115.613 1.351 . . . . 31.74 115.613 -179.206 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 69.1 p -77.77 175.69 9.72 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 104.67 -2.344 . . . . 25.57 104.67 178.068 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.85 -43.07 85.68 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.22 -0.192 . . . . 19.13 110.871 179.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -65.11 -38.42 90.64 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 111.976 0.361 . . . . 55.28 111.976 178.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -69.35 -37.13 77.52 Favored 'General case' 0 CA--C 1.514 -0.407 0 C-N-CA 120.888 -0.325 . . . . 39.01 110.89 -179.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.2 t -62.35 -40.65 88.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 108.636 -0.875 . . . . 17.26 108.636 178.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -62.1 -42.79 99.58 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.157 -0.617 . . . . 21.82 110.495 178.824 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -67.66 -40.14 90.36 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.7 -0.762 . . . . 14.88 113.319 -179.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.6 mt -65.49 -43.48 90.07 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 112.688 0.625 . . . . 19.17 112.688 179.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 97.3 mtp -70.21 -31.1 68.38 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 112.879 0.696 . . . . 15.58 112.879 -179.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.31 -37.71 74.81 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 107.97 -1.122 . . . . 13.44 107.97 177.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 58.4 ttt-85 -63.41 -43.16 98.33 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 109.135 -0.691 . . . . 28.91 109.135 179.408 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -53.61 -45.34 70.03 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 115.499 -0.773 . . . . 15.28 111.706 179.305 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.4 mm -66.64 -32.91 60.15 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 C-N-CA 121.054 -0.259 . . . . 15.12 110.991 178.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.14 -45.94 91.23 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 109.183 -0.673 . . . . 58.88 109.183 177.786 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.9 mt -65.35 -41.21 94.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.613 -0.721 . . . . 16.3 112.384 179.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 57.1 t -65.43 -40.0 86.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 108.875 -0.787 . . . . 15.68 108.875 178.635 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -61.68 -46.62 88.94 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 112.55 0.574 . . . . 25.14 112.55 -179.871 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.9 m -77.64 -25.23 14.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 120.974 -0.29 . . . . 23.72 110.688 179.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.7 32.63 21.19 Favored Glycine 0 N--CA 1.442 -0.921 0 C-N-CA 120.553 -0.832 . . . . 16.7 114.464 179.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -87.53 85.46 7.11 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 108.218 -1.03 . . . . 19.59 108.218 178.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 61.4 mt -55.08 -42.67 66.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 114.69 1.367 . . . . 22.6 114.69 -178.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -65.99 -36.09 82.35 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.24 0.83 . . . . 41.07 113.24 179.827 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.45 -34.51 67.81 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 109.775 -0.454 . . . . 15.76 109.775 178.36 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 74.8 mt -65.7 -50.68 69.63 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 CA-C-O 121.644 0.735 . . . . 15.52 110.453 178.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.8 t -57.56 -33.35 44.36 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-N 115.66 -0.7 . . . . 19.25 112.494 -179.532 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -73.56 -15.83 61.28 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 113.243 0.831 . . . . 54.58 113.243 -179.056 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 58.2 mtp -76.02 -21.41 56.88 Favored 'General case' 0 CA--C 1.515 -0.391 0 C-N-CA 120.403 -0.519 . . . . 17.88 110.155 178.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -85.66 153.66 22.21 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 114.094 1.146 . . . . 15.62 114.094 -179.674 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.51 155.36 40.17 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 103.183 -2.895 . . . . 15.47 103.183 176.099 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -58.54 -26.51 63.61 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 114.999 1.481 . . . . 21.42 114.999 -177.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.8 p-10 -118.18 25.73 10.12 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.334 0.864 . . . . 32.62 113.334 -179.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.32 160.7 18.28 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.221 0.452 . . . . 17.46 112.221 179.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 33.4 p -121.34 148.06 44.85 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 107.972 -1.122 . . . . 22.3 107.972 176.431 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 25.4 t -130.74 133.47 63.27 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.023 0 N-CA-C 107.161 -1.422 . . . . 15.36 107.161 -179.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -125.15 95.7 4.58 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 104.936 -2.246 . . . . 29.73 104.936 177.613 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -138.16 109.86 8.33 Favored Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 107.751 -1.203 . . . . 25.27 107.751 -178.136 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -81.05 155.84 83.5 Favored 'Cis proline' 0 C--N 1.348 0.553 0 N-CA-C 110.27 -0.704 . . . . 22.57 110.27 -0.385 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -59.25 136.29 57.91 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 106.323 -1.732 . . . . 33.52 106.323 178.889 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.21 -27.52 8.09 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 107.278 -2.329 . . . . 32.91 107.278 -178.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -88.86 153.03 49.44 Favored Pre-proline 0 CA--C 1.534 0.364 0 N-CA-C 107.519 -1.289 . . . . 62.48 107.519 178.537 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -64.71 142.54 77.24 Favored 'Trans proline' 0 CA--C 1.536 0.59 0 N-CA-C 110.449 -0.635 . . . . 35.3 110.449 179.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -69.91 156.51 62.79 Favored 'Trans proline' 0 C--O 1.234 0.317 0 N-CA-C 117.223 1.97 . . . . 30.2 117.223 -179.269 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 47.6 pt -108.69 140.84 25.73 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 N-CA-C 101.939 -3.356 . . . . 29.71 101.939 175.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -122.03 140.39 52.55 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 114.741 1.385 . . . . 48.23 114.741 -176.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.21 151.57 15.43 Favored Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 115.688 1.035 . . . . 16.26 115.688 176.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -55.46 -37.51 67.84 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 115.547 1.684 . . . . 22.76 115.547 -178.29 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 60.2 tt0 -59.19 -53.82 53.99 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 120.409 -0.516 . . . . 31.89 111.926 179.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -65.39 -32.2 73.71 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.65 0.262 . . . . 38.71 111.609 179.646 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 90.0 mt -70.23 -41.09 78.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 N-CA-C 109.897 -0.409 . . . . 15.95 109.897 179.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.09 -41.28 97.36 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 119.593 -0.843 . . . . 16.11 108.844 179.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.22 -45.93 91.49 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.083 0.468 . . . . 18.83 110.389 179.178 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -57.09 -48.72 77.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.926 -0.579 . . . . 23.46 111.597 178.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -69.38 -34.66 74.88 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 113.815 1.042 . . . . 25.12 113.815 179.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.7 ttm-85 -65.13 -39.68 93.38 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.74 -0.837 . . . . 46.17 108.74 -179.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.4 -44.04 75.91 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.045 -0.979 . . . . 60.8 110.417 179.459 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.19 -33.66 61.82 Favored Glycine 0 C--N 1.334 0.422 0 N-CA-C 114.848 0.699 . . . . 36.24 114.848 -179.59 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.1 mp . . . . . 0 C--O 1.253 1.258 0 N-CA-C 108.298 -1.001 . . . . 44.37 108.298 179.65 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 60.4 tttt . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 120.837 0.351 . . . . 82.68 110.334 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 52.1 t -135.54 139.78 45.87 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.802 0 N-CA-C 106.276 -1.75 . . . . 46.13 106.276 -179.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.9 ptt85 -131.77 139.32 48.9 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.326 -0.99 . . . . 69.74 108.326 176.614 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -129.49 143.9 51.03 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.023 -0.535 . . . . 24.16 110.429 -178.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' CYS . . . . . 0.745 ' SG ' ' O ' ' A' ' 543' ' ' HOH . 11.3 p -147.28 145.05 29.25 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 119.386 -0.926 . . . . 35.16 109.971 179.028 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.5 mt -69.02 135.54 51.03 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 104.995 -2.224 . . . . 19.88 104.995 177.525 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.2 p -108.8 10.71 26.59 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.525 0.679 . . . . 19.48 110.586 179.138 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -176.86 167.92 39.57 Favored Glycine 0 N--CA 1.444 -0.807 0 N-CA-C 107.271 -2.332 . . . . 15.9 107.271 179.91 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -67.35 158.52 56.61 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 CA-C-N 118.389 1.095 . . . . 15.35 114.871 -179.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 90.2 t -79.9 127.18 39.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 107.247 -1.39 . . . . 14.98 107.247 177.683 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -93.05 125.61 37.73 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 103.991 -2.596 . . . . 16.72 103.991 178.537 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -130.41 145.7 51.86 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 119.565 -0.854 . . . . 21.2 112.343 -178.715 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' SER . . . . . 0.512 ' OG ' ' ND2' ' A' ' 79' ' ' ASN . 94.2 p -104.4 -173.89 2.41 Favored 'General case' 0 C--O 1.223 -0.319 0 N-CA-C 109.326 -0.62 . . . . 25.83 109.326 179.078 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -98.03 -1.24 43.0 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 113.186 0.81 . . . . 27.7 113.186 -178.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ASN . . . . . 0.512 ' ND2' ' OG ' ' A' ' 77' ' ' SER . 0.0 OUTLIER -108.37 32.61 4.69 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 115.621 1.711 . . . . 33.81 115.621 179.47 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.86 22.59 76.69 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 116.899 1.52 . . . . 18.93 116.899 178.678 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 65.3 m -118.2 153.1 34.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 117.485 0.642 . . . . 27.1 109.766 179.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -152.66 159.16 28.28 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 109.546 -1.421 . . . . 11.84 109.546 179.071 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -142.74 140.62 31.51 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 106.183 -1.784 . . . . 11.07 106.183 178.817 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 12.5 ptt? -147.17 144.53 19.85 Favored Pre-proline 0 CA--C 1.514 -0.438 0 N-CA-C 113.398 0.888 . . . . 18.66 113.398 -178.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -96.9 136.29 0.46 Allowed 'Trans proline' 0 N--CA 1.459 -0.518 0 N-CA-C 109.385 -1.044 . . . . 12.08 109.385 179.416 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 42.0 p90 -154.02 166.48 32.89 Favored 'General case' 0 CA--C 1.513 -0.479 0 C-N-CA 119.238 -0.985 . . . . 13.04 111.925 178.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 20.6 ttm180 -124.48 143.82 50.44 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.425 0.631 . . . . 46.93 109.92 179.013 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 95.9 t -120.41 131.21 73.24 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.652 0 N-CA-C 106.523 -1.658 . . . . 23.89 106.523 178.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -114.6 129.4 56.67 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 121.177 0.513 . . . . 45.75 109.784 178.878 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -141.76 -173.84 3.9 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.67 -0.696 . . . . 56.21 109.428 179.733 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.4 t -131.34 101.89 5.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 106.499 -1.667 . . . . 70.9 106.499 179.154 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' TRP . . . . . 0.422 ' N ' ' O ' ' A' ' 95' ' ' GLN . 14.3 t90 -86.51 101.27 13.03 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 115.67 -0.696 . . . . 94.11 111.994 179.657 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.2 m120 51.68 68.34 0.82 Allowed 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 114.962 -1.017 . . . . 95.64 110.926 179.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.13 -41.59 2.45 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.198 -0.91 . . . . 84.79 114.29 179.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 92' ' ' TRP . 19.8 tt0 -87.14 124.84 67.86 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 112.423 0.527 . . . . 83.48 112.423 -179.543 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -78.51 130.48 9.93 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.55 2.833 . . . . 69.97 112.89 179.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 25.5 p -130.12 167.31 18.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.463 -0.335 . . . . 54.44 111.758 -179.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -132.12 151.91 51.52 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.963 -0.562 . . . . 30.25 109.561 179.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 40.9 tp -137.08 125.02 22.69 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.661 -0.699 . . . . 19.81 109.626 -178.613 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -94.77 125.21 39.27 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 105.627 -1.99 . . . . 17.05 105.627 178.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 39.8 t -133.95 154.7 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 13.5 111.591 -176.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 13.3 mt -128.48 121.51 55.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 104.348 -2.464 . . . . 11.01 104.348 174.653 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -102.05 138.93 38.35 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.854 -0.795 . . . . 15.52 108.854 178.372 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 54.3 t -119.17 127.09 75.85 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.302 0 N-CA-C 102.816 -3.031 . . . . 11.02 102.816 175.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 60.7 mtt -129.95 146.57 51.65 Favored 'General case' 0 CA--C 1.501 -0.922 0 CA-C-O 121.216 0.532 . . . . 17.0 112.37 -178.622 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -121.8 128.94 52.26 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 105.421 -2.066 . . . . 65.11 105.421 176.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -100.14 155.55 17.68 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.069 -0.514 . . . . 20.95 110.515 -179.315 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 36.9 p30 -97.46 -179.48 4.5 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 121.535 0.683 . . . . 26.05 111.754 178.404 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 -59.78 -0.18 0.18 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.449 -1.251 . . . . 53.2 114.366 -179.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -118.39 -0.1 11.53 Favored 'General case' 0 CA--C 1.508 -0.641 0 C-N-CA 123.501 0.72 . . . . 58.29 112.746 179.634 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 83.07 19.68 62.4 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 119.308 -1.425 . . . . 26.97 112.655 -179.24 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -106.91 151.06 25.76 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 117.631 0.715 . . . . 66.0 109.439 178.099 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 64.3 mt -70.3 115.32 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 108.04 -1.096 . . . . 15.92 108.04 179.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -87.64 -37.63 16.6 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.734 -0.666 . . . . 45.21 109.473 -179.982 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 11.4 t -148.96 141.81 24.66 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 122.339 0.256 . . . . 32.91 110.66 -179.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 6.7 tmm? -136.14 134.0 37.81 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.404 -0.591 . . . . 18.98 109.404 179.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -130.0 132.38 46.24 Favored 'General case' 0 CA--C 1.501 -0.919 0 N-CA-C 108.057 -1.09 . . . . 37.92 108.057 178.022 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -113.18 125.0 53.86 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.153 -0.476 . . . . 15.03 111.305 -179.481 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -101.01 118.74 37.6 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.804 -0.634 . . . . 21.22 111.206 -180.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 62.4 p-90 179.34 161.39 0.79 Allowed 'General case' 0 C--O 1.238 0.479 0 N-CA-C 107.03 -1.471 . . . . 17.59 107.03 177.453 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 87.0 p -156.49 -170.38 3.32 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 103.32 -2.844 . . . . 15.67 103.32 175.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 28.7 mp0 -60.32 -22.57 63.36 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 114.245 1.202 . . . . 38.41 114.245 -179.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 32.1 m -68.31 -15.22 19.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 120.955 0.407 . . . . 20.38 110.716 179.292 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -104.62 8.97 35.41 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 113.122 0.786 . . . . 16.75 113.122 -179.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.2 tt -101.8 141.05 35.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 34.13 110.102 -178.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 40.6 m -130.19 105.16 7.74 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 104.467 -2.42 . . . . 45.08 104.467 177.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 9.5 p . . . . . 0 C--O 1.253 1.286 0 CA-C-O 117.032 -1.461 . . . . 54.76 112.133 -178.717 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 505' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 506' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 507' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 508' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 509' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 510' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 511' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 512' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 513' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 514' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 515' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 516' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 517' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 518' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 519' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 520' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 521' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 522' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 523' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 524' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 525' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 526' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 527' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 528' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 529' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 530' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 531' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 532' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 533' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 534' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 535' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 536' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 537' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 538' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 539' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 540' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 541' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 542' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 543' ' ' HOH . . . . . 0.745 ' O ' ' SG ' ' A' ' 69' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 544' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 545' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 546' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 547' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 548' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.028 0 N-CA-C 107.918 -1.142 . . . . 54.780000000000001 107.918 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 15.6 tp -66.71 116.61 36.55 Favored Pre-proline 0 C--O 1.241 0.647 0 N-CA-C 104.964 -2.235 . . . . 45.350000000000001 104.964 178.906 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -55.21 139.5 80.8 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 N-CA-C 115.613 1.351 . . . . 31.739999999999998 115.613 -179.206 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 69.1 p -77.77 175.69 9.72 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 104.67 -2.344 . . . . 25.57 104.67 178.068 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.85 -43.07 85.68 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.22 -0.192 . . . . 19.129999999999999 110.871 179.829 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -65.11 -38.42 90.64 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 111.976 0.361 . . . . 55.280000000000001 111.976 178.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -69.35 -37.13 77.52 Favored 'General case' 0 CA--C 1.514 -0.407 0 C-N-CA 120.888 -0.325 . . . . 39.009999999999998 110.89 -179.919 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.2 t -62.35 -40.65 88.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 108.636 -0.875 . . . . 17.260000000000002 108.636 178.729 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -62.1 -42.79 99.58 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.157 -0.617 . . . . 21.82 110.495 178.824 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -67.66 -40.14 90.36 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.7 -0.762 . . . . 14.880000000000001 113.319 -179.955 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.6 mt -65.49 -43.48 90.07 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 112.688 0.625 . . . . 19.170000000000002 112.688 179.924 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 97.3 mtp -70.21 -31.1 68.38 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 112.879 0.696 . . . . 15.58 112.879 -179.446 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.31 -37.71 74.81 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 107.97 -1.122 . . . . 13.44 107.97 177.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 58.4 ttt-85 -63.41 -43.16 98.33 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 109.135 -0.691 . . . . 28.91 109.135 179.408 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -53.61 -45.34 70.03 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 115.499 -0.773 . . . . 15.279999999999999 111.706 179.305 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.4 mm -66.64 -32.91 60.15 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 C-N-CA 121.054 -0.259 . . . . 15.119999999999999 110.991 178.863 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.14 -45.94 91.23 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 109.183 -0.673 . . . . 58.880000000000003 109.183 177.786 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.9 mt -65.35 -41.21 94.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.613 -0.721 . . . . 16.300000000000001 112.384 179.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 57.1 t -65.43 -40.0 86.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 108.875 -0.787 . . . . 15.68 108.875 178.635 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -61.68 -46.62 88.94 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 112.55 0.574 . . . . 25.140000000000001 112.55 -179.871 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.9 m -77.64 -25.23 14.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 120.974 -0.29 . . . . 23.719999999999999 110.688 179.384 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.7 32.63 21.19 Favored Glycine 0 N--CA 1.442 -0.921 0 C-N-CA 120.553 -0.832 . . . . 16.699999999999999 114.464 179.555 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -87.53 85.46 7.11 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 108.218 -1.03 . . . . 19.59 108.218 178.786 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ILE . . . . . 0.439 ' O ' HG23 ' A' ' 29' ' ' VAL . 61.4 mt -55.08 -42.67 66.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 114.69 1.367 . . . . 22.600000000000001 114.69 -178.756 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -65.99 -36.09 82.35 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.24 0.83 . . . . 41.07 113.24 179.827 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.45 -34.51 67.81 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 109.775 -0.454 . . . . 15.76 109.775 178.36 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 74.8 mt -65.7 -50.68 69.63 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 CA-C-O 121.644 0.735 . . . . 15.52 110.453 178.258 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 25' ' ' ILE . 91.8 t -57.56 -33.35 44.36 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-N 115.66 -0.7 . . . . 19.25 112.494 -179.532 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -73.56 -15.83 61.28 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 113.243 0.831 . . . . 54.579999999999998 113.243 -179.056 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 58.2 mtp -76.02 -21.41 56.88 Favored 'General case' 0 CA--C 1.515 -0.391 0 C-N-CA 120.403 -0.519 . . . . 17.879999999999999 110.155 178.504 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -85.66 153.66 22.21 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 114.094 1.146 . . . . 15.619999999999999 114.094 -179.674 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.51 155.36 40.17 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 103.183 -2.895 . . . . 15.470000000000001 103.183 176.099 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -58.54 -26.51 63.61 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 114.999 1.481 . . . . 21.420000000000002 114.999 -177.607 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.8 p-10 -118.18 25.73 10.12 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.334 0.864 . . . . 32.619999999999997 113.334 -179.299 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.32 160.7 18.28 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.221 0.452 . . . . 17.460000000000001 112.221 179.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 33.4 p -121.34 148.06 44.85 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 107.972 -1.122 . . . . 22.300000000000001 107.972 176.431 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 25.4 t -130.74 133.47 63.27 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.023 0 N-CA-C 107.161 -1.422 . . . . 15.359999999999999 107.161 -179.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -125.15 95.7 4.58 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 104.936 -2.246 . . . . 29.73 104.936 177.613 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -138.16 109.86 8.33 Favored Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 107.751 -1.203 . . . . 25.27 107.751 -178.136 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -81.05 155.84 83.5 Favored 'Cis proline' 0 C--N 1.348 0.553 0 N-CA-C 110.27 -0.704 . . . . 22.57 110.27 -0.385 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -59.25 136.29 57.91 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 106.323 -1.732 . . . . 33.520000000000003 106.323 178.889 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.21 -27.52 8.09 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 107.278 -2.329 . . . . 32.909999999999997 107.278 -178.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -88.86 153.03 49.44 Favored Pre-proline 0 CA--C 1.534 0.364 0 N-CA-C 107.519 -1.289 . . . . 62.479999999999997 107.519 178.537 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -64.71 142.54 77.24 Favored 'Trans proline' 0 CA--C 1.536 0.59 0 N-CA-C 110.449 -0.635 . . . . 35.299999999999997 110.449 179.586 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -69.91 156.51 62.79 Favored 'Trans proline' 0 C--O 1.234 0.317 0 N-CA-C 117.223 1.97 . . . . 30.199999999999999 117.223 -179.269 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 47.6 pt -108.69 140.84 25.73 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 N-CA-C 101.939 -3.356 . . . . 29.710000000000001 101.939 175.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -122.03 140.39 52.55 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 114.741 1.385 . . . . 48.229999999999997 114.741 -176.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.21 151.57 15.43 Favored Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 115.688 1.035 . . . . 16.260000000000002 115.688 176.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -55.46 -37.51 67.84 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 115.547 1.684 . . . . 22.760000000000002 115.547 -178.29 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 60.2 tt0 -59.19 -53.82 53.99 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 120.409 -0.516 . . . . 31.890000000000001 111.926 179.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -65.39 -32.2 73.71 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.65 0.262 . . . . 38.710000000000001 111.609 179.646 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 90.0 mt -70.23 -41.09 78.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 N-CA-C 109.897 -0.409 . . . . 15.949999999999999 109.897 179.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.09 -41.28 97.36 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 119.593 -0.843 . . . . 16.109999999999999 108.844 179.384 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.22 -45.93 91.49 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.083 0.468 . . . . 18.829999999999998 110.389 179.178 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -57.09 -48.72 77.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.926 -0.579 . . . . 23.460000000000001 111.597 178.787 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -69.38 -34.66 74.88 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 113.815 1.042 . . . . 25.120000000000001 113.815 179.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.7 ttm-85 -65.13 -39.68 93.38 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.74 -0.837 . . . . 46.170000000000002 108.74 -179.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.4 -44.04 75.91 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.045 -0.979 . . . . 60.799999999999997 110.417 179.459 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.19 -33.66 61.82 Favored Glycine 0 C--N 1.334 0.422 0 N-CA-C 114.848 0.699 . . . . 36.240000000000002 114.848 -179.59 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.1 mp . . . . . 0 C--O 1.253 1.258 0 N-CA-C 108.298 -1.001 . . . . 44.369999999999997 108.298 179.65 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 60.4 tttt . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 120.837 0.351 . . . . 82.680000000000007 110.334 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 52.1 t -135.54 139.78 45.87 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.802 0 N-CA-C 106.276 -1.75 . . . . 46.130000000000003 106.276 -179.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.9 ptt85 -131.77 139.32 48.9 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.326 -0.99 . . . . 69.739999999999995 108.326 176.614 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -129.49 143.9 51.03 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.023 -0.535 . . . . 24.16 110.429 -178.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 11.3 p -147.28 145.05 29.25 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 119.386 -0.926 . . . . 35.159999999999997 109.971 179.028 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.5 mt -69.02 135.54 51.03 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 104.995 -2.224 . . . . 19.879999999999999 104.995 177.525 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.2 p -108.8 10.71 26.59 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.525 0.679 . . . . 19.48 110.586 179.138 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -176.86 167.92 39.57 Favored Glycine 0 N--CA 1.444 -0.807 0 N-CA-C 107.271 -2.332 . . . . 15.9 107.271 179.91 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -67.35 158.52 56.61 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 CA-C-N 118.389 1.095 . . . . 15.35 114.871 -179.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 90.2 t -79.9 127.18 39.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 107.247 -1.39 . . . . 14.98 107.247 177.683 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -93.05 125.61 37.73 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 103.991 -2.596 . . . . 16.719999999999999 103.991 178.537 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -130.41 145.7 51.86 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 119.565 -0.854 . . . . 21.199999999999999 112.343 -178.715 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 94.2 p -104.4 -173.89 2.41 Favored 'General case' 0 C--O 1.223 -0.319 0 N-CA-C 109.326 -0.62 . . . . 25.829999999999998 109.326 179.078 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -98.03 -1.24 43.0 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 113.186 0.81 . . . . 27.699999999999999 113.186 -178.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 48.5 p-10 -108.37 32.61 4.69 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 115.621 1.711 . . . . 33.810000000000002 115.621 179.47 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.86 22.59 76.69 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 116.899 1.52 . . . . 18.93 116.899 178.678 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 65.3 m -118.2 153.1 34.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 117.485 0.642 . . . . 27.100000000000001 109.766 179.899 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -152.66 159.16 28.28 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 109.546 -1.421 . . . . 11.84 109.546 179.071 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -142.74 140.62 31.51 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 106.183 -1.784 . . . . 11.07 106.183 178.817 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 12.5 ptt? -147.17 144.53 19.85 Favored Pre-proline 0 CA--C 1.514 -0.438 0 N-CA-C 113.398 0.888 . . . . 18.66 113.398 -178.545 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -96.9 136.29 0.46 Allowed 'Trans proline' 0 N--CA 1.459 -0.518 0 N-CA-C 109.385 -1.044 . . . . 12.08 109.385 179.416 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 42.0 p90 -154.02 166.48 32.89 Favored 'General case' 0 CA--C 1.513 -0.479 0 C-N-CA 119.238 -0.985 . . . . 13.039999999999999 111.925 178.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 20.6 ttm180 -124.48 143.82 50.44 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.425 0.631 . . . . 46.93 109.92 179.013 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 95.9 t -120.41 131.21 73.24 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.652 0 N-CA-C 106.523 -1.658 . . . . 23.890000000000001 106.523 178.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -114.6 129.4 56.67 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 121.177 0.513 . . . . 45.75 109.784 178.878 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -141.76 -173.84 3.9 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.67 -0.696 . . . . 56.210000000000001 109.428 179.733 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 91' ' ' VAL . . . . . 0.664 ' HA ' ' HA ' ' A' ' 96' ' ' PRO . 55.4 t -131.34 101.89 5.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 106.499 -1.667 . . . . 70.900000000000006 106.499 179.154 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 92' ' ' TRP . . . . . 0.422 ' N ' ' O ' ' A' ' 95' ' ' GLN . 14.3 t90 -86.51 101.27 13.03 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 115.67 -0.696 . . . . 94.109999999999999 111.994 179.657 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 44.5 m-20 51.68 68.34 0.82 Allowed 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 114.962 -1.017 . . . . 95.640000000000001 110.926 179.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.13 -41.59 2.45 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.198 -0.91 . . . . 84.790000000000006 114.29 179.933 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 92' ' ' TRP . 15.2 tt0 -87.14 124.84 67.86 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 112.423 0.527 . . . . 83.480000000000004 112.423 -179.543 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 96' ' ' PRO . . . . . 0.664 ' HA ' ' HA ' ' A' ' 91' ' ' VAL . 40.3 Cg_endo -78.51 130.48 9.93 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.55 2.833 . . . . 69.969999999999999 112.89 179.984 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 97' ' ' CYS . . . . . 0.68 ' HB3' HG23 ' A' ' 127' ' ' VAL . 25.5 p -130.12 167.31 18.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.463 -0.335 . . . . 54.439999999999998 111.758 -179.861 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -132.12 151.91 51.52 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.963 -0.562 . . . . 30.25 109.561 179.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 40.9 tp -137.08 125.02 22.69 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.661 -0.699 . . . . 19.809999999999999 109.626 -178.613 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -94.77 125.21 39.27 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 105.627 -1.99 . . . . 17.050000000000001 105.627 178.592 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 39.8 t -133.95 154.7 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 13.5 111.591 -176.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 13.3 mt -128.48 121.51 55.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 104.348 -2.464 . . . . 11.01 104.348 174.653 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -102.05 138.93 38.35 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.854 -0.795 . . . . 15.52 108.854 178.372 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 54.3 t -119.17 127.09 75.85 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.302 0 N-CA-C 102.816 -3.031 . . . . 11.02 102.816 175.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 60.7 mtt -129.95 146.57 51.65 Favored 'General case' 0 CA--C 1.501 -0.922 0 CA-C-O 121.216 0.532 . . . . 17.0 112.37 -178.622 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ARG . . . . . 0.695 ' HB3' HG22 ' A' ' 115' ' ' THR . 10.1 ttt180 -121.8 128.94 52.26 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 105.421 -2.066 . . . . 65.109999999999999 105.421 176.706 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -100.14 155.55 17.68 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.069 -0.514 . . . . 20.949999999999999 110.515 -179.315 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 36.9 p30 -97.46 -179.48 4.5 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 121.535 0.683 . . . . 26.050000000000001 111.754 178.404 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 -59.78 -0.18 0.18 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.449 -1.251 . . . . 53.200000000000003 114.366 -179.558 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -118.39 -0.1 11.53 Favored 'General case' 0 CA--C 1.508 -0.641 0 C-N-CA 123.501 0.72 . . . . 58.289999999999999 112.746 179.634 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 83.07 19.68 62.4 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 119.308 -1.425 . . . . 26.969999999999999 112.655 -179.24 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' ARG . . . . . 0.413 HH11 ' CG ' ' A' ' 112' ' ' ARG . 1.3 mtt-85 -106.91 151.06 25.76 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 117.631 0.715 . . . . 66.0 109.439 178.099 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 64.3 mt -70.3 115.32 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 108.04 -1.096 . . . . 15.92 108.04 179.56 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' GLN . . . . . 0.56 ' HG3' ' O ' ' A' ' 534' ' ' HOH . 38.8 tt0 -87.64 -37.63 16.6 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.734 -0.666 . . . . 45.210000000000001 109.473 -179.982 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 115' ' ' THR . . . . . 0.695 HG22 ' HB3' ' A' ' 106' ' ' ARG . 11.4 t -148.96 141.81 24.66 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 122.339 0.256 . . . . 32.909999999999997 110.66 -179.903 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 6.7 tmm? -136.14 134.0 37.81 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.404 -0.591 . . . . 18.98 109.404 179.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -130.0 132.38 46.24 Favored 'General case' 0 CA--C 1.501 -0.919 0 N-CA-C 108.057 -1.09 . . . . 37.920000000000002 108.057 178.022 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -113.18 125.0 53.86 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.153 -0.476 . . . . 15.029999999999999 111.305 -179.481 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -101.01 118.74 37.6 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.804 -0.634 . . . . 21.219999999999999 111.206 -180.0 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 62.4 p-90 179.34 161.39 0.79 Allowed 'General case' 0 C--O 1.238 0.479 0 N-CA-C 107.03 -1.471 . . . . 17.59 107.03 177.453 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' SER . . . . . 0.517 ' OG ' HG22 ' A' ' 123' ' ' VAL . 87.0 p -156.49 -170.38 3.32 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 103.32 -2.844 . . . . 15.67 103.32 175.884 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 28.7 mp0 -60.32 -22.57 63.36 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 114.245 1.202 . . . . 38.409999999999997 114.245 -179.504 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' VAL . . . . . 0.517 HG22 ' OG ' ' A' ' 121' ' ' SER . 32.1 m -68.31 -15.22 19.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 120.955 0.407 . . . . 20.379999999999999 110.716 179.292 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -104.62 8.97 35.41 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 113.122 0.786 . . . . 16.75 113.122 -179.46 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.2 tt -101.8 141.05 35.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 34.130000000000003 110.102 -178.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 40.6 m -130.19 105.16 7.74 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 104.467 -2.42 . . . . 45.079999999999998 104.467 177.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' VAL . . . . . 0.68 HG23 ' HB3' ' A' ' 97' ' ' CYS . 9.5 p . . . . . 0 C--O 1.253 1.286 0 CA-C-O 117.032 -1.461 . . . . 54.759999999999998 112.133 -178.717 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 505' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 506' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 507' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 508' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 509' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 510' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 511' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 512' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 513' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 514' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 515' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 516' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 517' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 518' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 519' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 520' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 521' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 522' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 523' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 524' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 525' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 526' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 527' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 528' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 529' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 530' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 531' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 532' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 533' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 534' ' ' HOH . . . . . 0.56 ' O ' ' HG3' ' A' ' 114' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 535' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 536' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 537' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 538' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 539' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 540' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 541' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 542' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 543' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 544' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 545' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 546' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 547' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 548' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.028 0 N-CA-C 107.918 -1.142 . . . . 54.780000000000001 107.918 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 15.6 tp -66.71 116.61 36.55 Favored Pre-proline 0 C--O 1.241 0.647 0 N-CA-C 104.964 -2.235 . . . . 45.350000000000001 104.964 178.906 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -55.21 139.5 80.8 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 N-CA-C 115.613 1.351 . . . . 31.739999999999998 115.613 -179.206 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 69.1 p -77.77 175.69 9.72 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 104.67 -2.344 . . . . 25.57 104.67 178.068 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.85 -43.07 85.68 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.22 -0.192 . . . . 19.129999999999999 110.871 179.829 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -65.11 -38.42 90.64 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 111.976 0.361 . . . . 55.280000000000001 111.976 178.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -69.35 -37.13 77.52 Favored 'General case' 0 CA--C 1.514 -0.407 0 C-N-CA 120.888 -0.325 . . . . 39.009999999999998 110.89 -179.919 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.2 t -62.35 -40.65 88.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 108.636 -0.875 . . . . 17.260000000000002 108.636 178.729 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -62.1 -42.79 99.58 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.157 -0.617 . . . . 21.82 110.495 178.824 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -67.66 -40.14 90.36 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.7 -0.762 . . . . 14.880000000000001 113.319 -179.955 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.6 mt -65.49 -43.48 90.07 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 112.688 0.625 . . . . 19.170000000000002 112.688 179.924 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 97.3 mtp -70.21 -31.1 68.38 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 112.879 0.696 . . . . 15.58 112.879 -179.446 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.31 -37.71 74.81 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 107.97 -1.122 . . . . 13.44 107.97 177.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 58.4 ttt-85 -63.41 -43.16 98.33 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 109.135 -0.691 . . . . 28.91 109.135 179.408 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -53.61 -45.34 70.03 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 115.499 -0.773 . . . . 15.279999999999999 111.706 179.305 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.4 mm -66.64 -32.91 60.15 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 C-N-CA 121.054 -0.259 . . . . 15.119999999999999 110.991 178.863 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.14 -45.94 91.23 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 109.183 -0.673 . . . . 58.880000000000003 109.183 177.786 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.9 mt -65.35 -41.21 94.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.613 -0.721 . . . . 16.300000000000001 112.384 179.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 57.1 t -65.43 -40.0 86.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 108.875 -0.787 . . . . 15.68 108.875 178.635 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -61.68 -46.62 88.94 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 112.55 0.574 . . . . 25.140000000000001 112.55 -179.871 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.9 m -77.64 -25.23 14.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 120.974 -0.29 . . . . 23.719999999999999 110.688 179.384 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.7 32.63 21.19 Favored Glycine 0 N--CA 1.442 -0.921 0 C-N-CA 120.553 -0.832 . . . . 16.699999999999999 114.464 179.555 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -87.53 85.46 7.11 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 108.218 -1.03 . . . . 19.59 108.218 178.786 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.439 ' O ' HG23 ' A' ' 29' ' ' VAL . 61.4 mt -55.08 -42.67 66.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 114.69 1.367 . . . . 22.600000000000001 114.69 -178.756 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -65.99 -36.09 82.35 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.24 0.83 . . . . 41.07 113.24 179.827 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.45 -34.51 67.81 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 109.775 -0.454 . . . . 15.76 109.775 178.36 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 74.8 mt -65.7 -50.68 69.63 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 CA-C-O 121.644 0.735 . . . . 15.52 110.453 178.258 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 25' ' ' ILE . 91.8 t -57.56 -33.35 44.36 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-N 115.66 -0.7 . . . . 19.25 112.494 -179.532 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -73.56 -15.83 61.28 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 113.243 0.831 . . . . 54.579999999999998 113.243 -179.056 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 58.2 mtp -76.02 -21.41 56.88 Favored 'General case' 0 CA--C 1.515 -0.391 0 C-N-CA 120.403 -0.519 . . . . 17.879999999999999 110.155 178.504 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -85.66 153.66 22.21 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 114.094 1.146 . . . . 15.619999999999999 114.094 -179.674 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.51 155.36 40.17 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 103.183 -2.895 . . . . 15.470000000000001 103.183 176.099 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -58.54 -26.51 63.61 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 114.999 1.481 . . . . 21.420000000000002 114.999 -177.607 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.8 p-10 -118.18 25.73 10.12 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.334 0.864 . . . . 32.619999999999997 113.334 -179.299 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.32 160.7 18.28 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.221 0.452 . . . . 17.460000000000001 112.221 179.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 33.4 p -121.34 148.06 44.85 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 107.972 -1.122 . . . . 22.300000000000001 107.972 176.431 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 25.4 t -130.74 133.47 63.27 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.023 0 N-CA-C 107.161 -1.422 . . . . 15.359999999999999 107.161 -179.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -125.15 95.7 4.58 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 104.936 -2.246 . . . . 29.73 104.936 177.613 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -138.16 109.86 8.33 Favored Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 107.751 -1.203 . . . . 25.27 107.751 -178.136 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -81.05 155.84 83.5 Favored 'Cis proline' 0 C--N 1.348 0.553 0 N-CA-C 110.27 -0.704 . . . . 22.57 110.27 -0.385 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -59.25 136.29 57.91 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 106.323 -1.732 . . . . 33.520000000000003 106.323 178.889 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.21 -27.52 8.09 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 107.278 -2.329 . . . . 32.909999999999997 107.278 -178.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -88.86 153.03 49.44 Favored Pre-proline 0 CA--C 1.534 0.364 0 N-CA-C 107.519 -1.289 . . . . 62.479999999999997 107.519 178.537 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -64.71 142.54 77.24 Favored 'Trans proline' 0 CA--C 1.536 0.59 0 N-CA-C 110.449 -0.635 . . . . 35.299999999999997 110.449 179.586 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -69.91 156.51 62.79 Favored 'Trans proline' 0 C--O 1.234 0.317 0 N-CA-C 117.223 1.97 . . . . 30.199999999999999 117.223 -179.269 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 47.6 pt -108.69 140.84 25.73 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 N-CA-C 101.939 -3.356 . . . . 29.710000000000001 101.939 175.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -122.03 140.39 52.55 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 114.741 1.385 . . . . 48.229999999999997 114.741 -176.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.21 151.57 15.43 Favored Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 115.688 1.035 . . . . 16.260000000000002 115.688 176.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -55.46 -37.51 67.84 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 115.547 1.684 . . . . 22.760000000000002 115.547 -178.29 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 60.2 tt0 -59.19 -53.82 53.99 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 120.409 -0.516 . . . . 31.890000000000001 111.926 179.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -65.39 -32.2 73.71 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.65 0.262 . . . . 38.710000000000001 111.609 179.646 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 90.0 mt -70.23 -41.09 78.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 N-CA-C 109.897 -0.409 . . . . 15.949999999999999 109.897 179.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.09 -41.28 97.36 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 119.593 -0.843 . . . . 16.109999999999999 108.844 179.384 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.22 -45.93 91.49 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.083 0.468 . . . . 18.829999999999998 110.389 179.178 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -57.09 -48.72 77.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.926 -0.579 . . . . 23.460000000000001 111.597 178.787 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -69.38 -34.66 74.88 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 113.815 1.042 . . . . 25.120000000000001 113.815 179.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.7 ttm-85 -65.13 -39.68 93.38 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.74 -0.837 . . . . 46.170000000000002 108.74 -179.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.4 -44.04 75.91 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.045 -0.979 . . . . 60.799999999999997 110.417 179.459 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.19 -33.66 61.82 Favored Glycine 0 C--N 1.334 0.422 0 N-CA-C 114.848 0.699 . . . . 36.240000000000002 114.848 -179.59 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.1 mp . . . . . 0 C--O 1.253 1.258 0 N-CA-C 108.298 -1.001 . . . . 44.369999999999997 108.298 179.65 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 60.4 tttt . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 120.837 0.351 . . . . 82.680000000000007 110.334 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 52.1 t -135.54 139.78 45.87 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.802 0 N-CA-C 106.276 -1.75 . . . . 46.130000000000003 106.276 -179.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.9 ptt85 -131.77 139.32 48.9 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.326 -0.99 . . . . 69.739999999999995 108.326 176.614 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -129.49 143.9 51.03 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.023 -0.535 . . . . 24.16 110.429 -178.388 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 11.3 p -147.28 145.05 29.25 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 119.386 -0.926 . . . . 35.159999999999997 109.971 179.028 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.5 mt -69.02 135.54 51.03 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 104.995 -2.224 . . . . 19.879999999999999 104.995 177.525 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.2 p -108.8 10.71 26.59 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.525 0.679 . . . . 19.48 110.586 179.138 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -176.86 167.92 39.57 Favored Glycine 0 N--CA 1.444 -0.807 0 N-CA-C 107.271 -2.332 . . . . 15.9 107.271 179.91 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -67.35 158.52 56.61 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 CA-C-N 118.389 1.095 . . . . 15.35 114.871 -179.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 90.2 t -79.9 127.18 39.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 107.247 -1.39 . . . . 14.98 107.247 177.683 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -93.05 125.61 37.73 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 103.991 -2.596 . . . . 16.719999999999999 103.991 178.537 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -130.41 145.7 51.86 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 119.565 -0.854 . . . . 21.199999999999999 112.343 -178.715 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' SER . . . . . 0.512 ' OG ' ' ND2' ' A' ' 79' ' ' ASN . 94.2 p -104.4 -173.89 2.41 Favored 'General case' 0 C--O 1.223 -0.319 0 N-CA-C 109.326 -0.62 . . . . 25.829999999999998 109.326 179.078 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -98.03 -1.24 43.0 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 113.186 0.81 . . . . 27.699999999999999 113.186 -178.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.551 HD22 ' H ' ' A' ' 79' ' ' ASN . 0.0 OUTLIER -108.37 32.61 4.69 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 115.621 1.711 . . . . 33.810000000000002 115.621 179.47 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.86 22.59 76.69 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 116.899 1.52 . . . . 18.93 116.899 178.678 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 65.3 m -118.2 153.1 34.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 117.485 0.642 . . . . 27.100000000000001 109.766 179.899 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -152.66 159.16 28.28 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 109.546 -1.421 . . . . 11.84 109.546 179.071 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -142.74 140.62 31.51 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 106.183 -1.784 . . . . 11.07 106.183 178.817 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 12.5 ptt? -147.17 144.53 19.85 Favored Pre-proline 0 CA--C 1.514 -0.438 0 N-CA-C 113.398 0.888 . . . . 18.66 113.398 -178.545 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -96.9 136.29 0.46 Allowed 'Trans proline' 0 N--CA 1.459 -0.518 0 N-CA-C 109.385 -1.044 . . . . 12.08 109.385 179.416 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 42.0 p90 -154.02 166.48 32.89 Favored 'General case' 0 CA--C 1.513 -0.479 0 C-N-CA 119.238 -0.985 . . . . 13.039999999999999 111.925 178.217 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 20.6 ttm180 -124.48 143.82 50.44 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.425 0.631 . . . . 46.93 109.92 179.013 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 95.9 t -120.41 131.21 73.24 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.652 0 N-CA-C 106.523 -1.658 . . . . 23.890000000000001 106.523 178.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -114.6 129.4 56.67 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 121.177 0.513 . . . . 45.75 109.784 178.878 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -141.76 -173.84 3.9 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.67 -0.696 . . . . 56.210000000000001 109.428 179.733 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.664 ' HA ' ' HA ' ' A' ' 96' ' ' PRO . 55.4 t -131.34 101.89 5.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 106.499 -1.667 . . . . 70.900000000000006 106.499 179.154 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.422 ' N ' ' O ' ' A' ' 95' ' ' GLN . 14.3 t90 -86.51 101.27 13.03 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 115.67 -0.696 . . . . 94.109999999999999 111.994 179.657 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.2 m120 51.68 68.34 0.82 Allowed 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 114.962 -1.017 . . . . 95.640000000000001 110.926 179.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.13 -41.59 2.45 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.198 -0.91 . . . . 84.790000000000006 114.29 179.933 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.538 HE21 HG22 ' A' ' 127' ' ' VAL . 19.8 tt0 -87.14 124.84 67.86 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 112.423 0.527 . . . . 83.480000000000004 112.423 -179.543 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.664 ' HA ' ' HA ' ' A' ' 91' ' ' VAL . 40.3 Cg_endo -78.51 130.48 9.93 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.55 2.833 . . . . 69.969999999999999 112.89 179.984 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.68 ' HB3' HG23 ' A' ' 127' ' ' VAL . 25.5 p -130.12 167.31 18.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.463 -0.335 . . . . 54.439999999999998 111.758 -179.861 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -132.12 151.91 51.52 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.963 -0.562 . . . . 30.25 109.561 179.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 40.9 tp -137.08 125.02 22.69 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.661 -0.699 . . . . 19.809999999999999 109.626 -178.613 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -94.77 125.21 39.27 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 105.627 -1.99 . . . . 17.050000000000001 105.627 178.592 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 39.8 t -133.95 154.7 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 13.5 111.591 -176.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 13.3 mt -128.48 121.51 55.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 104.348 -2.464 . . . . 11.01 104.348 174.653 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -102.05 138.93 38.35 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.854 -0.795 . . . . 15.52 108.854 178.372 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 54.3 t -119.17 127.09 75.85 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.302 0 N-CA-C 102.816 -3.031 . . . . 11.02 102.816 175.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 60.7 mtt -129.95 146.57 51.65 Favored 'General case' 0 CA--C 1.501 -0.922 0 CA-C-O 121.216 0.532 . . . . 17.0 112.37 -178.622 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.695 ' HB3' HG22 ' A' ' 115' ' ' THR . 10.1 ttt180 -121.8 128.94 52.26 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 105.421 -2.066 . . . . 65.109999999999999 105.421 176.706 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -100.14 155.55 17.68 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.069 -0.514 . . . . 20.949999999999999 110.515 -179.315 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 36.9 p30 -97.46 -179.48 4.5 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 121.535 0.683 . . . . 26.050000000000001 111.754 178.404 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 -59.78 -0.18 0.18 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.449 -1.251 . . . . 53.200000000000003 114.366 -179.558 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -118.39 -0.1 11.53 Favored 'General case' 0 CA--C 1.508 -0.641 0 C-N-CA 123.501 0.72 . . . . 58.289999999999999 112.746 179.634 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 83.07 19.68 62.4 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 119.308 -1.425 . . . . 26.969999999999999 112.655 -179.24 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.413 HH11 ' CG ' ' A' ' 112' ' ' ARG . 1.3 mtt-85 -106.91 151.06 25.76 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 117.631 0.715 . . . . 66.0 109.439 178.099 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 64.3 mt -70.3 115.32 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 108.04 -1.096 . . . . 15.92 108.04 179.56 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.56 ' HG3' ' O ' ' A' ' 534' ' ' HOH . 38.8 tt0 -87.64 -37.63 16.6 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.734 -0.666 . . . . 45.210000000000001 109.473 -179.982 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' THR . . . . . 0.695 HG22 ' HB3' ' A' ' 106' ' ' ARG . 11.4 t -148.96 141.81 24.66 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 122.339 0.256 . . . . 32.909999999999997 110.66 -179.903 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 6.7 tmm? -136.14 134.0 37.81 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.404 -0.591 . . . . 18.98 109.404 179.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -130.0 132.38 46.24 Favored 'General case' 0 CA--C 1.501 -0.919 0 N-CA-C 108.057 -1.09 . . . . 37.920000000000002 108.057 178.022 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -113.18 125.0 53.86 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.153 -0.476 . . . . 15.029999999999999 111.305 -179.481 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -101.01 118.74 37.6 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.804 -0.634 . . . . 21.219999999999999 111.206 -180.0 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 62.4 p-90 179.34 161.39 0.79 Allowed 'General case' 0 C--O 1.238 0.479 0 N-CA-C 107.03 -1.471 . . . . 17.59 107.03 177.453 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' SER . . . . . 0.517 ' OG ' HG22 ' A' ' 123' ' ' VAL . 87.0 p -156.49 -170.38 3.32 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 103.32 -2.844 . . . . 15.67 103.32 175.884 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 28.7 mp0 -60.32 -22.57 63.36 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 114.245 1.202 . . . . 38.409999999999997 114.245 -179.504 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.517 HG22 ' OG ' ' A' ' 121' ' ' SER . 32.1 m -68.31 -15.22 19.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 120.955 0.407 . . . . 20.379999999999999 110.716 179.292 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -104.62 8.97 35.41 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 113.122 0.786 . . . . 16.75 113.122 -179.46 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.2 tt -101.8 141.05 35.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 34.130000000000003 110.102 -178.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 40.6 m -130.19 105.16 7.74 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 104.467 -2.42 . . . . 45.079999999999998 104.467 177.583 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.68 HG23 ' HB3' ' A' ' 97' ' ' CYS . 9.5 p . . . . . 0 C--O 1.253 1.286 0 CA-C-O 117.032 -1.461 . . . . 54.759999999999998 112.133 -178.717 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 505' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 506' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 507' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 508' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 509' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 510' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 511' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 512' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 513' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 514' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 515' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 516' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 517' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 518' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 519' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 520' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 521' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 522' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 523' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 524' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 525' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 526' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 527' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 528' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 529' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 530' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 531' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 532' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 533' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 534' ' ' HOH . . . . . 0.56 ' O ' ' HG3' ' A' ' 114' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 535' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 536' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 537' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 538' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 539' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 540' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 541' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 542' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 543' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 544' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 545' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 546' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 547' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 548' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_