data_1dkt_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 1dkt _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 ' 5' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 572' ' ' HOH . 1.8 mm100 . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 112.946 0.721 . . . . 70.78 112.946 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 58.2 mt -86.8 131.7 34.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 N-CA-C 107.806 -1.183 . . . . 31.87 107.806 178.723 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -124.95 134.94 52.43 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.904 -0.589 . . . . 39.28 111.634 -178.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' TYR . . . . . 0.427 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 10.4 m-85 -105.27 139.73 39.48 Favored 'General case' 0 C--O 1.224 -0.259 0 N-CA-C 106.868 -1.531 . . . . 22.18 106.868 179.148 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.1 p -89.99 -178.12 5.37 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 119.838 -0.745 . . . . 27.09 110.32 -179.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.15 160.4 30.49 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 104.487 -2.412 . . . . 53.5 104.487 176.641 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -88.01 160.28 17.94 Favored 'General case' 0 N--CA 1.441 -0.878 0 N-CA-C 107.54 -1.282 . . . . 38.23 107.54 179.791 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -156.71 111.05 2.74 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 105.664 -1.976 . . . . 64.91 105.664 178.795 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -107.51 167.04 10.22 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.571 0.582 . . . . 62.74 112.571 -179.187 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.7 p-10 -128.25 -167.74 1.81 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 107.626 -1.25 . . . . 72.39 107.626 179.291 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.47 54.59 1.17 Allowed 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 119.865 -0.734 . . . . 96.22 112.703 -179.971 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 176.12 -48.4 0.01 OUTLIER 'General case' 0 C--O 1.232 0.161 0 N-CA-C 113.652 0.982 . . . . 82.97 113.652 179.802 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -124.78 172.3 9.43 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 114.247 1.203 . . . . 48.99 114.247 -178.177 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -127.14 112.47 15.19 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 105.535 -2.024 . . . . 58.76 105.535 178.013 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -100.61 160.57 14.24 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 115.517 1.673 . . . . 42.6 115.517 -178.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -170.7 127.75 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.253 -1.017 . . . . 37.66 108.253 179.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -102.89 152.19 21.57 Favored 'General case' 0 CA--C 1.507 -0.708 0 C-N-CA 119.458 -0.897 . . . . 28.9 111.201 178.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 99.2 t -114.9 141.95 29.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 106.506 -1.664 . . . . 27.65 106.506 179.351 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.3 ttm -111.93 108.22 17.5 Favored 'General case' 0 CA--C 1.499 -0.99 0 N-CA-C 108.201 -1.037 . . . . 28.01 108.201 -178.365 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 mp -87.94 147.83 41.86 Favored Pre-proline 0 C--O 1.247 0.944 0 N-CA-C 107.987 -1.116 . . . . 31.42 107.987 179.824 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -67.47 130.19 21.78 Favored 'Trans proline' 0 CA--C 1.532 0.408 0 N-CA-C 106.327 -2.22 . . . . 17.7 106.327 178.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -48.55 -21.99 0.67 Allowed 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 114.632 1.345 . . . . 28.87 114.632 -178.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -64.09 -25.1 67.95 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 109.749 -0.463 . . . . 68.13 109.749 179.309 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -103.09 0.92 10.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 114.694 1.368 . . . . 42.79 114.694 -177.899 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.87 -32.18 60.49 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.538 1.31 . . . . 23.28 114.538 -179.365 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -68.32 -19.73 64.69 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 114.571 1.323 . . . . 40.24 114.571 -179.809 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 46.7 mt -81.22 -8.46 59.76 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.714 0.292 . . . . 24.53 111.73 179.197 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 74.7 t -86.01 117.55 68.91 Favored Pre-proline 0 N--CA 1.447 -0.624 0 N-CA-C 109.68 -0.489 . . . . 23.69 109.68 -179.598 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -50.03 136.92 37.09 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 122.947 2.431 . . . . 23.43 109.284 179.541 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -98.41 -25.34 14.84 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 115.547 1.684 . . . . 40.74 115.547 -178.635 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 76.7 p -101.59 -8.15 22.11 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 116.309 1.966 . . . . 40.05 116.309 -178.211 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -141.81 150.04 41.15 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 113.709 1.003 . . . . 28.4 113.709 179.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 49.2 mt -72.69 150.62 42.78 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 107.285 -1.376 . . . . 18.56 107.285 178.273 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 43.4 mtm -83.59 160.02 21.5 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 113.39 0.885 . . . . 26.32 113.39 -178.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.9 p -113.96 155.28 26.13 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 102.818 -3.03 . . . . 28.83 102.818 178.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -39.88 -39.66 0.86 Allowed 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 114.256 1.206 . . . . 46.15 114.256 -179.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.2 t -64.3 -44.53 91.32 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.041 -0.664 . . . . 40.18 110.654 -179.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -64.3 -60.24 3.43 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 113.337 0.866 . . . . 32.89 113.337 -178.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 6.3 p-90 -62.09 -26.24 68.17 Favored 'General case' 0 CA--C 1.501 -0.928 0 C-N-CA 118.979 -1.088 . . . . 25.33 113.23 -178.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 34.0 ttm-85 -69.71 -23.56 63.43 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.692 -1.225 . . . . 44.09 107.692 179.021 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -78.15 -24.36 47.36 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 114.549 1.315 . . . . 53.61 114.549 179.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.6 mt -74.96 -13.9 60.57 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.829 -0.434 . . . . 26.64 109.829 178.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.94 4.97 22.35 Favored Glycine 0 C--N 1.332 0.34 0 CA-C-N 116.215 -0.448 . . . . 26.11 113.218 179.825 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.0 t -75.7 118.45 21.84 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.42 0 CA-C-N 117.359 0.579 . . . . 18.99 110.395 179.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -113.66 122.94 48.69 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.227 -1.027 . . . . 57.69 108.227 179.753 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -170.1 174.06 5.62 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 113.156 0.799 . . . . 31.84 113.156 -179.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.4 t -50.44 131.92 24.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.848 -0.615 . . . . 52.3 111.134 179.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -52.67 -28.61 22.44 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.751 0.82 . . . . 65.23 112.572 179.305 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.94 -0.96 61.4 Favored Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 116.246 1.258 . . . . 31.58 116.246 -178.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -81.04 129.5 34.58 Favored 'General case' 0 C--O 1.239 0.536 0 N-CA-C 109.109 -0.7 . . . . 25.22 109.109 179.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 85.1 t -119.25 126.94 75.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 112.47 0.544 . . . . 24.38 112.47 -178.402 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -71.96 103.9 3.35 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 105.68 -1.97 . . . . 23.2 105.68 178.328 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -106.1 -5.25 19.55 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 119.69 3.218 . . . . 21.11 119.69 -175.598 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.3 ttt -166.3 155.58 11.42 Favored 'General case' 0 CA--C 1.509 -0.607 0 C-N-CA 119.877 -0.729 . . . . 23.53 110.507 -178.246 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 25.0 mm -98.02 131.43 45.04 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 N-CA-C 107.587 -1.264 . . . . 21.2 107.587 -179.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -86.06 95.93 9.69 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 102.983 -2.969 . . . . 28.52 102.983 178.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -50.85 -57.35 13.85 Favored Pre-proline 0 C--N 1.329 -0.291 0 N-CA-C 116.209 1.929 . . . . 32.13 116.209 -177.533 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_exo -51.97 -41.42 63.94 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.602 2.201 . . . . 32.87 114.097 -179.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -137.48 83.7 25.05 Favored Pre-proline 0 N--CA 1.447 -0.595 0 CA-C-O 121.41 0.624 . . . . 52.39 110.761 -179.675 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -61.38 -8.44 10.61 Favored 'Trans proline' 0 N--CA 1.463 -0.28 1 C-N-CA 126.486 4.791 . . . . 37.38 116.495 -179.816 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -86.02 -7.37 58.68 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 107.139 -1.43 . . . . 31.75 107.139 178.878 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 87.5 mt -102.81 100.19 9.9 Favored 'Isoleucine or valine' 0 C--O 1.246 0.891 0 N-CA-C 107.656 -1.238 . . . . 22.86 107.656 178.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 37.8 mt -73.54 139.26 45.53 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 122.885 0.474 . . . . 19.39 111.412 179.409 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.8 mp -108.08 111.23 23.16 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 113.305 0.854 . . . . 23.57 113.305 -179.856 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -110.42 166.33 11.07 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.969 0.729 . . . . 32.71 112.969 178.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -166.98 156.73 11.02 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.337 -0.986 . . . . 37.88 108.337 178.661 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -146.23 153.25 48.37 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 108.437 -0.949 . . . . 41.58 108.437 178.298 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -58.62 130.12 35.66 Favored 'Trans proline' 0 CA--C 1.511 -0.646 0 C-N-CA 124.933 3.755 . . . . 53.97 113.756 -179.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.1 tp -84.7 115.27 59.99 Favored Pre-proline 0 C--N 1.324 -0.5 0 N-CA-C 106.059 -1.83 . . . . 79.22 106.059 178.372 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_exo -60.71 150.33 83.04 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 123.053 2.502 . . . . 88.41 114.248 -179.619 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt 71.99 120.32 0.04 OUTLIER 'General case' 0 C--O 1.234 0.245 0 N-CA-C 114.709 1.374 . . . . 101.43 114.709 179.255 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.9 pttm . . . . . 0 C--O 1.257 1.497 0 CA-C-O 118.161 -0.923 . . . . 104.97 108.561 178.366 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' B' ' 586' ' ' HOH . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 121.561 0.696 . . . . 53.16 112.557 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 61.5 mt -73.67 136.7 24.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 114.772 -1.104 . . . . 27.55 111.187 -179.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -127.36 148.84 50.26 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 123.777 0.831 . . . . 35.08 110.887 179.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -118.97 129.3 55.08 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.754 -0.832 . . . . 14.58 108.754 -179.308 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 39.4 p -72.56 177.09 4.9 Favored 'General case' 0 N--CA 1.438 -1.066 0 C-N-CA 120.221 -0.592 . . . . 20.39 111.349 -178.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -74.34 176.28 6.86 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 103.166 -2.902 . . . . 63.65 103.166 177.194 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -114.04 145.6 41.36 Favored 'General case' 0 CA--C 1.51 -0.586 0 N-CA-C 113.628 0.973 . . . . 43.44 113.628 -179.221 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 24.5 p90 -135.76 175.46 9.58 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 104.081 -2.563 . . . . 41.7 104.081 176.727 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -168.82 139.53 2.43 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 115.165 1.542 . . . . 46.09 115.165 -178.503 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -92.29 -158.88 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.411 -1.329 . . . . 44.44 107.411 177.779 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -38.38 79.8 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 116.436 2.014 . . . . 71.48 116.436 -178.522 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -112.09 -26.32 8.9 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 117.21 2.3 . . . . 46.88 117.21 -178.093 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -117.75 154.11 32.27 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 116.749 2.129 . . . . 33.97 116.749 -178.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -112.74 111.57 22.46 Favored 'General case' 0 N--CA 1.435 -1.188 0 N-CA-C 104.759 -2.312 . . . . 49.37 104.759 178.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -94.01 156.49 16.57 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 116.472 2.027 . . . . 28.9 116.472 -178.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.42 162.87 25.06 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 104.817 -2.29 . . . . 41.71 104.817 177.838 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -144.93 143.8 30.74 Favored 'General case' 0 CA--C 1.505 -0.763 0 C-N-CA 120.249 -0.581 . . . . 24.02 110.438 178.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 62.0 t -103.72 140.41 21.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.543 -0.299 . . . . 29.16 110.733 -178.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 47.1 ttm -112.05 113.51 25.84 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 107.963 -1.125 . . . . 47.32 107.963 179.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 5.3 mt -96.26 148.34 34.35 Favored Pre-proline 0 CA--C 1.511 -0.537 0 N-CA-C 113.649 0.981 . . . . 27.23 113.649 -177.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -65.77 143.85 75.46 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 N-CA-C 105.724 -2.452 . . . . 36.88 105.724 179.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 9.9 tptt -50.5 -21.88 1.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 113.462 0.912 . . . . 81.04 113.462 -178.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.19 -53.23 58.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.608 -0.724 . . . . 76.14 111.786 179.484 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 7.6 pt -82.99 -17.5 11.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 113.272 0.842 . . . . 56.16 113.272 -178.673 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.27 -16.76 48.9 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 109.03 -0.73 . . . . 48.49 109.03 178.856 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -64.97 -40.37 94.89 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 108.058 -1.09 . . . . 71.85 108.058 178.094 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 9.8 mt -77.95 -6.91 55.92 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 116.647 2.092 . . . . 31.33 116.647 -178.47 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 15.2 t -73.65 114.26 30.49 Favored Pre-proline 0 C--N 1.324 -0.524 0 N-CA-C 108.785 -0.82 . . . . 40.56 108.785 179.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -57.8 138.95 88.6 Favored 'Trans proline' 0 CA--C 1.516 -0.382 0 C-N-CA 122.146 1.897 . . . . 26.56 111.74 179.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -94.73 -17.69 21.96 Favored 'General case' 0 CA--C 1.503 -0.829 0 N-CA-C 113.129 0.789 . . . . 64.27 113.129 -178.351 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 1.1 p -94.15 -14.4 25.69 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 118.495 2.776 . . . . 25.81 118.495 -177.671 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' HIS . . . . . . . . . . . . . 27.1 p80 -153.41 155.28 36.08 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 114.315 1.228 . . . . 17.13 114.315 -178.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 61.8 mt -65.44 159.16 24.91 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 105.689 -1.967 . . . . 18.16 105.689 176.021 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 29.0 mtm -98.77 147.01 25.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.902 0.382 . . . . 22.25 110.717 -179.888 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 67.7 p -86.78 166.54 15.17 Favored 'General case' 0 C--O 1.239 0.548 0 N-CA-C 104.414 -2.439 . . . . 33.08 104.414 178.116 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 52.1 tt0 -52.76 -44.11 66.25 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 108.871 -0.789 . . . . 55.56 108.871 178.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.49 -39.37 76.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.917 -0.583 . . . . 49.4 110.078 -179.782 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -67.33 -57.7 6.14 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 113.593 0.96 . . . . 41.41 113.593 -179.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . 0.251 21.4 p-90 -61.09 -41.11 96.07 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 118.683 -1.207 . . . . 26.41 113.924 -179.734 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 88.9 mtt-85 -58.72 -36.07 73.7 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 109.767 -0.457 . . . . 43.61 109.767 178.318 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -66.15 -25.53 67.01 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.127 -0.629 . . . . 63.35 109.988 179.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 27.4 mt -73.85 -31.58 63.25 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 120.608 0.242 . . . . 38.84 110.788 178.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 129.12 -15.73 5.82 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.58 -0.819 . . . . 30.47 112.52 -179.291 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 75.7 t -60.1 107.44 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 N-CA-C 109.521 -0.548 . . . . 39.43 109.521 179.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -98.25 113.05 24.86 Favored 'General case' 0 C--O 1.222 -0.385 0 N-CA-C 110.625 -0.139 . . . . 65.59 110.625 179.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -148.01 161.73 40.79 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 122.348 0.259 . . . . 47.74 110.641 179.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 53.7 p -70.18 153.91 42.55 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.052 -1.092 . . . . 44.95 108.052 179.267 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -65.2 150.36 48.33 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 105.664 -1.976 . . . . 79.31 105.664 178.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 116.61 -31.79 5.8 Favored Glycine 0 N--CA 1.448 -0.511 0 N-CA-C 106.427 -2.669 . . . . 33.54 106.427 -178.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -82.24 121.94 27.28 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 106.839 -1.541 . . . . 22.31 106.839 178.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 8.1 p -126.9 131.44 71.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 114.74 1.385 . . . . 23.52 114.74 -178.589 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.3 99.37 0.1 Allowed 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 105.619 -1.993 . . . . 21.52 105.619 178.199 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -99.55 -9.52 23.18 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 120.737 3.606 . . . . 20.0 120.737 -175.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 49.7 ttm -154.23 137.82 16.01 Favored 'General case' 0 CA--C 1.492 -1.278 0 C-N-CA 118.941 -1.104 . . . . 34.4 111.941 -177.655 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 2.8 mt -86.1 137.56 20.65 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.462 0 N-CA-C 106.483 -1.673 . . . . 42.05 106.483 179.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -127.68 95.82 4.34 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 105.433 -2.062 . . . . 71.41 105.433 179.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -68.43 -40.6 20.33 Favored Pre-proline 0 C--N 1.327 -0.37 0 N-CA-C 116.967 2.21 . . . . 81.94 116.967 -178.448 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -56.3 -29.31 75.91 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 N-CA-C 114.089 0.765 . . . . 68.15 114.089 179.661 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -135.79 84.05 33.56 Favored Pre-proline 0 C--N 1.331 -0.221 0 O-C-N 122.205 -0.309 . . . . 80.31 111.79 179.264 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -56.77 -11.96 8.07 Favored 'Trans proline' 0 C--O 1.23 0.122 1 C-N-CA 127.128 5.219 . . . . 49.11 115.818 -179.631 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -98.88 2.03 46.25 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.63 0.604 . . . . 41.86 112.63 -179.471 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 24.8 mt -115.32 109.84 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 N-CA-C 109.566 -0.531 . . . . 39.96 109.566 179.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 79.5 mt -95.71 123.69 39.39 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.401 -0.592 . . . . 23.79 109.401 178.913 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 3.0 mp -90.19 114.42 26.39 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 122.14 -0.35 . . . . 19.66 110.391 179.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -104.77 165.22 11.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.021 0.438 . . . . 19.52 111.569 178.27 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -152.2 161.75 42.15 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 109.04 -0.726 . . . . 39.18 109.04 -177.105 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -158.9 146.26 13.19 Favored Pre-proline 0 CA--C 1.509 -0.617 0 N-CA-C 107.764 -1.199 . . . . 31.23 107.764 -178.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -77.79 140.71 18.72 Favored 'Trans proline' 0 C--O 1.239 0.547 0 N-CA-C 108.284 -1.468 . . . . 32.22 108.284 179.888 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 55.2 mt -53.34 117.91 13.0 Favored Pre-proline 0 C--O 1.242 0.669 0 N-CA-C 108.533 -0.914 . . . . 56.54 108.533 179.355 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -32.68 106.35 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.607 1 C-N-CA 126.358 4.705 . . . . 73.51 115.013 -179.506 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt . . . . . 0 C--O 1.254 1.294 0 N-CA-C 116.982 2.216 . . . . 87.94 116.982 -179.75 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' V7O . . . . . 1.071 ' O16' ' O15' ' A' ' 100' ' ' V7O . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 511' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 513' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 516' ' ' 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 ' 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 ' 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 ' 541' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 543' ' ' 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 ' 551' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 552' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 553' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 556' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 557' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 558' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 559' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 560' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 561' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 562' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 565' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 566' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 567' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 568' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 569' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 570' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 571' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 572' ' ' HOH . . . . . 0.464 ' O ' ' N ' ' A' ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 581' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 582' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 583' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 584' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 505' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 508' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 512' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 538' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 539' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 555' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 573' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 574' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 575' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 576' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 578' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 579' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 585' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 586' ' ' HOH . . . . . 0.495 ' O ' ' N ' ' B' ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 587' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLN . . . . . 0.51 ' HA ' ' OE1' ' A' ' 5' ' ' GLN . 1.8 mm100 . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 112.946 0.721 . . . . 70.78 112.946 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 58.2 mt -86.8 131.7 34.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 N-CA-C 107.806 -1.183 . . . . 31.87 107.806 178.723 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -124.95 134.94 52.43 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.904 -0.589 . . . . 39.28 111.634 -178.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' TYR . . . . . 0.45 ' HB3' ' HE ' ' A' ' 20' ' ' ARG . 10.4 m-85 -105.27 139.73 39.48 Favored 'General case' 0 C--O 1.224 -0.259 0 N-CA-C 106.868 -1.531 . . . . 22.18 106.868 179.148 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.1 p -89.99 -178.12 5.37 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 119.838 -0.745 . . . . 27.09 110.32 -179.176 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.15 160.4 30.49 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 104.487 -2.412 . . . . 53.5 104.487 176.641 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -88.01 160.28 17.94 Favored 'General case' 0 N--CA 1.441 -0.878 0 N-CA-C 107.54 -1.282 . . . . 38.23 107.54 179.791 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -156.71 111.05 2.74 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 105.664 -1.976 . . . . 64.91 105.664 178.795 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ASP . . . . . 0.659 ' HB3' ' HA ' ' A' ' 18' ' ' GLU . 2.0 p30 -107.51 167.04 10.22 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.571 0.582 . . . . 62.74 112.571 -179.187 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.7 p-10 -128.25 -167.74 1.81 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 107.626 -1.25 . . . . 72.39 107.626 179.291 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLU . . . . . 0.48 ' O ' ' HB2' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -77.47 54.59 1.17 Allowed 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 119.865 -0.734 . . . . 96.22 112.703 -179.971 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLU . . . . . 0.48 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 22.6 tp10 176.12 -48.4 0.01 OUTLIER 'General case' 0 C--O 1.232 0.161 0 N-CA-C 113.652 0.982 . . . . 82.97 113.652 179.802 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' PHE . . . . . 0.527 ' O ' ' HB2' ' A' ' 13' ' ' ASP . 71.8 m-85 -124.78 172.3 9.43 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 114.247 1.203 . . . . 48.99 114.247 -178.177 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLU . . . . . 0.659 ' HA ' ' HB3' ' A' ' 13' ' ' ASP . 20.0 tt0 -127.14 112.47 15.19 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 105.535 -2.024 . . . . 58.76 105.535 178.013 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -100.61 160.57 14.24 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 115.517 1.673 . . . . 42.6 115.517 -178.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ARG . . . . . 0.482 ' HG2' ' O ' ' A' ' 584' ' ' HOH . 5.0 ttt180 -170.7 127.75 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.253 -1.017 . . . . 37.66 108.253 179.77 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -102.89 152.19 21.57 Favored 'General case' 0 CA--C 1.507 -0.708 0 C-N-CA 119.458 -0.897 . . . . 28.9 111.201 178.813 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 99.2 t -114.9 141.95 29.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 106.506 -1.664 . . . . 27.65 106.506 179.351 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.3 ttm -111.93 108.22 17.5 Favored 'General case' 0 CA--C 1.499 -0.99 0 N-CA-C 108.201 -1.037 . . . . 28.01 108.201 -178.365 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 mp -87.94 147.83 41.86 Favored Pre-proline 0 C--O 1.247 0.944 0 N-CA-C 107.987 -1.116 . . . . 31.42 107.987 179.824 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -67.47 130.19 21.78 Favored 'Trans proline' 0 CA--C 1.532 0.408 0 N-CA-C 106.327 -2.22 . . . . 17.7 106.327 178.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -48.55 -21.99 0.67 Allowed 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 114.632 1.345 . . . . 28.87 114.632 -178.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -64.09 -25.1 67.95 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 109.749 -0.463 . . . . 68.13 109.749 179.309 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ILE . . . . . 0.655 HG13 HD12 ' A' ' 31' ' ' LEU . 0.9 OUTLIER -103.09 0.92 10.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 114.694 1.368 . . . . 42.79 114.694 -177.899 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.87 -32.18 60.49 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.538 1.31 . . . . 23.28 114.538 -179.365 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -68.32 -19.73 64.69 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 114.571 1.323 . . . . 40.24 114.571 -179.809 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LEU . . . . . 0.655 HD12 HG13 ' A' ' 28' ' ' ILE . 46.7 mt -81.22 -8.46 59.76 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.714 0.292 . . . . 24.53 111.73 179.197 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 74.7 t -86.01 117.55 68.91 Favored Pre-proline 0 N--CA 1.447 -0.624 0 N-CA-C 109.68 -0.489 . . . . 23.69 109.68 -179.598 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -50.03 136.92 37.09 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 122.947 2.431 . . . . 23.43 109.284 179.541 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -98.41 -25.34 14.84 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 115.547 1.684 . . . . 40.74 115.547 -178.635 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 76.7 p -101.59 -8.15 22.11 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 116.309 1.966 . . . . 40.05 116.309 -178.211 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' HIS . . . . . 0.513 ' HE1' ' OE2' ' A' ' 42' ' ' GLU . 11.1 p80 -141.81 150.04 41.15 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 113.709 1.003 . . . . 28.4 113.709 179.868 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 49.2 mt -72.69 150.62 42.78 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 107.285 -1.376 . . . . 18.56 107.285 178.273 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 43.4 mtm -83.59 160.02 21.5 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 113.39 0.885 . . . . 26.32 113.39 -178.898 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.9 p -113.96 155.28 26.13 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 102.818 -3.03 . . . . 28.83 102.818 178.148 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLU . . . . . 0.441 ' O ' ' HB2' ' A' ' 44' ' ' ARG . 37.7 tt0 -39.88 -39.66 0.86 Allowed 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 114.256 1.206 . . . . 46.15 114.256 -179.085 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.2 t -64.3 -44.53 91.32 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.041 -0.664 . . . . 40.18 110.654 -179.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLU . . . . . 0.513 ' OE2' ' HE1' ' A' ' 36' ' ' HIS . 39.1 mt-10 -64.3 -60.24 3.43 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 113.337 0.866 . . . . 32.89 113.337 -178.32 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 6.3 p-90 -62.09 -26.24 68.17 Favored 'General case' 0 CA--C 1.501 -0.928 0 C-N-CA 118.979 -1.088 . . . . 25.33 113.23 -178.861 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ARG . . . . . 0.441 ' HB2' ' O ' ' A' ' 40' ' ' GLU . 34.0 ttm-85 -69.71 -23.56 63.43 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.692 -1.225 . . . . 44.09 107.692 179.021 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -78.15 -24.36 47.36 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 114.549 1.315 . . . . 53.61 114.549 179.714 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.6 mt -74.96 -13.9 60.57 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.829 -0.434 . . . . 26.64 109.829 178.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.94 4.97 22.35 Favored Glycine 0 C--N 1.332 0.34 0 CA-C-N 116.215 -0.448 . . . . 26.11 113.218 179.825 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.0 t -75.7 118.45 21.84 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.42 0 CA-C-N 117.359 0.579 . . . . 18.99 110.395 179.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -113.66 122.94 48.69 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.227 -1.027 . . . . 57.69 108.227 179.753 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -170.1 174.06 5.62 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 113.156 0.799 . . . . 31.84 113.156 -179.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' SER . . . . . 0.558 ' HB3' ' CD1' ' A' ' 54' ' ' TRP . 31.4 t -50.44 131.92 24.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.848 -0.615 . . . . 52.3 111.134 179.254 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -52.67 -28.61 22.44 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.751 0.82 . . . . 65.23 112.572 179.305 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.94 -0.96 61.4 Favored Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 116.246 1.258 . . . . 31.58 116.246 -178.828 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' TRP . . . . . 0.558 ' CD1' ' HB3' ' A' ' 51' ' ' SER . 89.1 m95 -81.04 129.5 34.58 Favored 'General case' 0 C--O 1.239 0.536 0 N-CA-C 109.109 -0.7 . . . . 25.22 109.109 179.804 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 85.1 t -119.25 126.94 75.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 112.47 0.544 . . . . 24.38 112.47 -178.402 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -71.96 103.9 3.35 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 105.68 -1.97 . . . . 23.2 105.68 178.328 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -106.1 -5.25 19.55 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 119.69 3.218 . . . . 21.11 119.69 -175.598 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.3 ttt -166.3 155.58 11.42 Favored 'General case' 0 CA--C 1.509 -0.607 0 C-N-CA 119.877 -0.729 . . . . 23.53 110.507 -178.246 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 25.0 mm -98.02 131.43 45.04 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 N-CA-C 107.587 -1.264 . . . . 21.2 107.587 -179.974 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -86.06 95.93 9.69 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 102.983 -2.969 . . . . 28.52 102.983 178.367 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLU . . . . . 0.556 ' HB2' ' HD3' ' A' ' 62' ' ' PRO . 77.6 mm-40 -50.85 -57.35 13.85 Favored Pre-proline 0 C--N 1.329 -0.291 0 N-CA-C 116.209 1.929 . . . . 32.13 116.209 -177.533 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' PRO . . . . . 0.556 ' HD3' ' HB2' ' A' ' 61' ' ' GLU . 43.5 Cg_exo -51.97 -41.42 63.94 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.602 2.201 . . . . 32.87 114.097 -179.822 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' GLU . . . . . 0.423 ' HA ' ' HD2' ' A' ' 64' ' ' PRO . 10.8 mt-10 -137.48 83.7 25.05 Favored Pre-proline 0 N--CA 1.447 -0.595 0 CA-C-O 121.41 0.624 . . . . 52.39 110.761 -179.675 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 63' ' ' GLU . 73.4 Cg_endo -61.38 -8.44 10.61 Favored 'Trans proline' 0 N--CA 1.463 -0.28 1 C-N-CA 126.486 4.791 . . . . 37.38 116.495 -179.816 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -86.02 -7.37 58.68 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 107.139 -1.43 . . . . 31.75 107.139 178.878 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 87.5 mt -102.81 100.19 9.9 Favored 'Isoleucine or valine' 0 C--O 1.246 0.891 0 N-CA-C 107.656 -1.238 . . . . 22.86 107.656 178.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 37.8 mt -73.54 139.26 45.53 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 122.885 0.474 . . . . 19.39 111.412 179.409 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.8 mp -108.08 111.23 23.16 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 113.305 0.854 . . . . 23.57 113.305 -179.856 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -110.42 166.33 11.07 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.969 0.729 . . . . 32.71 112.969 178.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -166.98 156.73 11.02 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.337 -0.986 . . . . 37.88 108.337 178.661 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ARG . . . . . 0.539 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 30.1 ptt180 -146.23 153.25 48.37 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 108.437 -0.949 . . . . 41.58 108.437 178.298 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 72' ' ' PRO . . . . . 0.539 ' HD2' ' HB2' ' A' ' 71' ' ' ARG . 94.8 Cg_endo -58.62 130.12 35.66 Favored 'Trans proline' 0 CA--C 1.511 -0.646 0 C-N-CA 124.933 3.755 . . . . 53.97 113.756 -179.607 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.1 tp -84.7 115.27 59.99 Favored Pre-proline 0 C--N 1.324 -0.5 0 N-CA-C 106.059 -1.83 . . . . 79.22 106.059 178.372 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_exo -60.71 150.33 83.04 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 123.053 2.502 . . . . 88.41 114.248 -179.619 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt 71.99 120.32 0.04 OUTLIER 'General case' 0 C--O 1.234 0.245 0 N-CA-C 114.709 1.374 . . . . 101.43 114.709 179.255 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.9 pttm . . . . . 0 C--O 1.257 1.497 0 CA-C-O 118.161 -0.923 . . . . 104.97 108.561 178.366 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 5' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' B' ' 586' ' ' HOH . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 121.561 0.696 . . . . 53.16 112.557 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 61.5 mt -73.67 136.7 24.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 114.772 -1.104 . . . . 27.55 111.187 -179.201 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -127.36 148.84 50.26 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 123.777 0.831 . . . . 35.08 110.887 179.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -118.97 129.3 55.08 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.754 -0.832 . . . . 14.58 108.754 -179.308 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 39.4 p -72.56 177.09 4.9 Favored 'General case' 0 N--CA 1.438 -1.066 0 C-N-CA 120.221 -0.592 . . . . 20.39 111.349 -178.821 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -74.34 176.28 6.86 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 103.166 -2.902 . . . . 63.65 103.166 177.194 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -114.04 145.6 41.36 Favored 'General case' 0 CA--C 1.51 -0.586 0 N-CA-C 113.628 0.973 . . . . 43.44 113.628 -179.221 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 24.5 p90 -135.76 175.46 9.58 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 104.081 -2.563 . . . . 41.7 104.081 176.727 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ASP . . . . . 0.531 ' HB3' ' HA ' ' B' ' 18' ' ' GLU . 3.6 p30 -168.82 139.53 2.43 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 115.165 1.542 . . . . 46.09 115.165 -178.503 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -92.29 -158.88 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.411 -1.329 . . . . 44.44 107.411 177.779 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' GLU . . . . . 0.405 ' H ' ' HG3' ' B' ' 15' ' ' GLU . 0.0 OUTLIER -59.22 -38.38 79.8 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 116.436 2.014 . . . . 71.48 116.436 -178.522 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 16' ' ' GLU . . . . . 0.493 ' HG3' ' CD2' ' B' ' 17' ' ' PHE . 16.1 pt-20 -112.09 -26.32 8.9 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 117.21 2.3 . . . . 46.88 117.21 -178.093 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 17' ' ' PHE . . . . . 0.493 ' CD2' ' HG3' ' B' ' 16' ' ' GLU . 64.7 m-85 -117.75 154.11 32.27 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 116.749 2.129 . . . . 33.97 116.749 -178.469 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 18' ' ' GLU . . . . . 0.531 ' HA ' ' HB3' ' B' ' 13' ' ' ASP . 40.7 tt0 -112.74 111.57 22.46 Favored 'General case' 0 N--CA 1.435 -1.188 0 N-CA-C 104.759 -2.312 . . . . 49.37 104.759 178.638 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -94.01 156.49 16.57 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 116.472 2.027 . . . . 28.9 116.472 -178.497 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' ARG . . . . . 0.627 ' HG3' ' N ' ' B' ' 21' ' ' HIS . 0.0 OUTLIER -163.42 162.87 25.06 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 104.817 -2.29 . . . . 41.71 104.817 177.838 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 21' ' ' HIS . . . . . 0.627 ' N ' ' HG3' ' B' ' 20' ' ' ARG . 3.6 p-80 -144.93 143.8 30.74 Favored 'General case' 0 CA--C 1.505 -0.763 0 C-N-CA 120.249 -0.581 . . . . 24.02 110.438 178.92 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 62.0 t -103.72 140.41 21.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.543 -0.299 . . . . 29.16 110.733 -178.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 47.1 ttm -112.05 113.51 25.84 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 107.963 -1.125 . . . . 47.32 107.963 179.376 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' LEU . . . . . 0.824 HD22 HD11 ' B' ' 28' ' ' ILE . 5.3 mt -96.26 148.34 34.35 Favored Pre-proline 0 CA--C 1.511 -0.537 0 N-CA-C 113.649 0.981 . . . . 27.23 113.649 -177.288 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -65.77 143.85 75.46 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 N-CA-C 105.724 -2.452 . . . . 36.88 105.724 179.104 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' LYS . . . . . 0.403 ' HA ' ' HD2' ' B' ' 26' ' ' LYS . 9.9 tptt -50.5 -21.88 1.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 113.462 0.912 . . . . 81.04 113.462 -178.95 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.19 -53.23 58.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.608 -0.724 . . . . 76.14 111.786 179.484 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 28' ' ' ILE . . . . . 0.824 HD11 HD22 ' B' ' 24' ' ' LEU . 7.6 pt -82.99 -17.5 11.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 113.272 0.842 . . . . 56.16 113.272 -178.673 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.27 -16.76 48.9 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 109.03 -0.73 . . . . 48.49 109.03 178.856 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -64.97 -40.37 94.89 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 108.058 -1.09 . . . . 71.85 108.058 178.094 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 9.8 mt -77.95 -6.91 55.92 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 116.647 2.092 . . . . 31.33 116.647 -178.47 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 15.2 t -73.65 114.26 30.49 Favored Pre-proline 0 C--N 1.324 -0.524 0 N-CA-C 108.785 -0.82 . . . . 40.56 108.785 179.642 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -57.8 138.95 88.6 Favored 'Trans proline' 0 CA--C 1.516 -0.382 0 C-N-CA 122.146 1.897 . . . . 26.56 111.74 179.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' LYS . . . . . 0.424 ' NZ ' ' HB3' ' B' ' 34' ' ' LYS . 1.1 mtpm? -94.73 -17.69 21.96 Favored 'General case' 0 CA--C 1.503 -0.829 0 N-CA-C 113.129 0.789 . . . . 64.27 113.129 -178.351 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 1.1 p -94.15 -14.4 25.69 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 118.495 2.776 . . . . 25.81 118.495 -177.671 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' HIS . . . . . . . . . . . . . 27.1 p80 -153.41 155.28 36.08 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 114.315 1.228 . . . . 17.13 114.315 -178.133 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 61.8 mt -65.44 159.16 24.91 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 105.689 -1.967 . . . . 18.16 105.689 176.021 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' MET . . . . . 0.46 ' HB3' ' HB2' ' B' ' 42' ' ' GLU . 29.0 mtm -98.77 147.01 25.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.902 0.382 . . . . 22.25 110.717 -179.888 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 39' ' ' SER . . . . . 0.485 ' OG ' ' HG3' ' B' ' 42' ' ' GLU . 67.7 p -86.78 166.54 15.17 Favored 'General case' 0 C--O 1.239 0.548 0 N-CA-C 104.414 -2.439 . . . . 33.08 104.414 178.116 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 40' ' ' GLU . . . . . 0.436 ' HG2' ' HE ' ' B' ' 44' ' ' ARG . 52.1 tt0 -52.76 -44.11 66.25 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 108.871 -0.789 . . . . 55.56 108.871 178.999 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.49 -39.37 76.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.917 -0.583 . . . . 49.4 110.078 -179.782 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 42' ' ' GLU . . . . . 0.485 ' HG3' ' OG ' ' B' ' 39' ' ' SER . 39.0 mt-10 -67.33 -57.7 6.14 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 113.593 0.96 . . . . 41.41 113.593 -179.0 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 43' ' ' TRP . . . . . 0.414 ' CZ3' ' HG2' ' B' ' 44' ' ' ARG 0.251 21.4 p-90 -61.09 -41.11 96.07 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 118.683 -1.207 . . . . 26.41 113.924 -179.734 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 44' ' ' ARG . . . . . 0.436 ' HE ' ' HG2' ' B' ' 40' ' ' GLU . 88.9 mtt-85 -58.72 -36.07 73.7 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 109.767 -0.457 . . . . 43.61 109.767 178.318 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -66.15 -25.53 67.01 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.127 -0.629 . . . . 63.35 109.988 179.772 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 27.4 mt -73.85 -31.58 63.25 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 120.608 0.242 . . . . 38.84 110.788 178.804 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 129.12 -15.73 5.82 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.58 -0.819 . . . . 30.47 112.52 -179.291 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 75.7 t -60.1 107.44 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 N-CA-C 109.521 -0.548 . . . . 39.43 109.521 179.464 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -98.25 113.05 24.86 Favored 'General case' 0 C--O 1.222 -0.385 0 N-CA-C 110.625 -0.139 . . . . 65.59 110.625 179.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -148.01 161.73 40.79 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 122.348 0.259 . . . . 47.74 110.641 179.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 53.7 p -70.18 153.91 42.55 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.052 -1.092 . . . . 44.95 108.052 179.267 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -65.2 150.36 48.33 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 105.664 -1.976 . . . . 79.31 105.664 178.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 116.61 -31.79 5.8 Favored Glycine 0 N--CA 1.448 -0.511 0 N-CA-C 106.427 -2.669 . . . . 33.54 106.427 -178.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -82.24 121.94 27.28 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 106.839 -1.541 . . . . 22.31 106.839 178.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 8.1 p -126.9 131.44 71.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 114.74 1.385 . . . . 23.52 114.74 -178.589 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' HIS . . . . . 0.43 ' HE1' ' O ' ' B' ' 539' ' ' HOH . 14.8 t-160 -61.3 99.37 0.1 Allowed 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 105.619 -1.993 . . . . 21.52 105.619 178.199 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -99.55 -9.52 23.18 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 120.737 3.606 . . . . 20.0 120.737 -175.358 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 49.7 ttm -154.23 137.82 16.01 Favored 'General case' 0 CA--C 1.492 -1.278 0 C-N-CA 118.941 -1.104 . . . . 34.4 111.941 -177.655 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 2.8 mt -86.1 137.56 20.65 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.462 0 N-CA-C 106.483 -1.673 . . . . 42.05 106.483 179.46 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -127.68 95.82 4.34 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 105.433 -2.062 . . . . 71.41 105.433 179.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' GLU . . . . . 0.535 ' N ' ' HD2' ' B' ' 62' ' ' PRO . 4.7 mm-40 -68.43 -40.6 20.33 Favored Pre-proline 0 C--N 1.327 -0.37 0 N-CA-C 116.967 2.21 . . . . 81.94 116.967 -178.448 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 62' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' B' ' 61' ' ' GLU . 34.7 Cg_endo -56.3 -29.31 75.91 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 N-CA-C 114.089 0.765 . . . . 68.15 114.089 179.661 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 63' ' ' GLU . . . . . 0.403 ' HA ' ' HD2' ' B' ' 64' ' ' PRO . 1.3 mp0 -135.79 84.05 33.56 Favored Pre-proline 0 C--N 1.331 -0.221 0 O-C-N 122.205 -0.309 . . . . 80.31 111.79 179.264 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 64' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' B' ' 63' ' ' GLU . 72.8 Cg_endo -56.77 -11.96 8.07 Favored 'Trans proline' 0 C--O 1.23 0.122 1 C-N-CA 127.128 5.219 . . . . 49.11 115.818 -179.631 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 65' ' ' HIS . . . . . . . . . . . . . 7.9 p-80 -98.88 2.03 46.25 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.63 0.604 . . . . 41.86 112.63 -179.471 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 24.8 mt -115.32 109.84 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 N-CA-C 109.566 -0.531 . . . . 39.96 109.566 179.67 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 79.5 mt -95.71 123.69 39.39 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.401 -0.592 . . . . 23.79 109.401 178.913 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 3.0 mp -90.19 114.42 26.39 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 122.14 -0.35 . . . . 19.66 110.391 179.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -104.77 165.22 11.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.021 0.438 . . . . 19.52 111.569 178.27 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -152.2 161.75 42.15 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 109.04 -0.726 . . . . 39.18 109.04 -177.105 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -158.9 146.26 13.19 Favored Pre-proline 0 CA--C 1.509 -0.617 0 N-CA-C 107.764 -1.199 . . . . 31.23 107.764 -178.623 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -77.79 140.71 18.72 Favored 'Trans proline' 0 C--O 1.239 0.547 0 N-CA-C 108.284 -1.468 . . . . 32.22 108.284 179.888 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 55.2 mt -53.34 117.91 13.0 Favored Pre-proline 0 C--O 1.242 0.669 0 N-CA-C 108.533 -0.914 . . . . 56.54 108.533 179.355 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -32.68 106.35 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.607 1 C-N-CA 126.358 4.705 . . . . 73.51 115.013 -179.506 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt . . . . . 0 C--O 1.254 1.294 0 N-CA-C 116.982 2.216 . . . . 87.94 116.982 -179.75 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 100' ' ' V7O . . . . . 1.071 ' O16' ' O15' ' A' ' 100' ' ' V7O . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 511' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 513' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 516' ' ' 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 ' 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 ' 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 0 . 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 ' 541' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 543' ' ' 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 ' 551' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 552' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 553' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 556' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 557' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 558' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 559' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 560' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 561' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 562' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 565' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 566' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 567' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 568' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 569' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 570' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 571' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 572' ' ' HOH . . . . . 0.464 ' O ' ' N ' ' A' ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 581' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 582' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 583' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 584' ' ' HOH . . . . . 0.482 ' O ' ' HG2' ' A' ' 20' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 505' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 508' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 512' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 538' ' ' HOH . . . . . 0.453 ' O ' ' HB3' ' B' ' 21' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 539' ' ' HOH . . . . . 0.43 ' O ' ' HE1' ' B' ' 56' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 555' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 573' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 574' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 575' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 576' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 578' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 579' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 585' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 586' ' ' HOH . . . . . 0.495 ' O ' ' N ' ' B' ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 587' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.51 ' HA ' ' OE1' ' A' ' 5' ' ' GLN . 1.8 mm100 . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 112.946 0.721 . . . . 70.78 112.946 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 58.2 mt -86.8 131.7 34.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 N-CA-C 107.806 -1.183 . . . . 31.87 107.806 178.723 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -124.95 134.94 52.43 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.904 -0.589 . . . . 39.28 111.634 -178.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.45 ' HB3' ' HE ' ' A' ' 20' ' ' ARG . 10.4 m-85 -105.27 139.73 39.48 Favored 'General case' 0 C--O 1.224 -0.259 0 N-CA-C 106.868 -1.531 . . . . 22.18 106.868 179.148 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.1 p -89.99 -178.12 5.37 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 119.838 -0.745 . . . . 27.09 110.32 -179.176 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.15 160.4 30.49 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 104.487 -2.412 . . . . 53.5 104.487 176.641 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -88.01 160.28 17.94 Favored 'General case' 0 N--CA 1.441 -0.878 0 N-CA-C 107.54 -1.282 . . . . 38.23 107.54 179.791 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -156.71 111.05 2.74 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 105.664 -1.976 . . . . 64.91 105.664 178.795 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.659 ' HB3' ' HA ' ' A' ' 18' ' ' GLU . 2.0 p30 -107.51 167.04 10.22 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.571 0.582 . . . . 62.74 112.571 -179.187 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.7 p-10 -128.25 -167.74 1.81 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 107.626 -1.25 . . . . 72.39 107.626 179.291 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.48 ' O ' ' HB2' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -77.47 54.59 1.17 Allowed 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 119.865 -0.734 . . . . 96.22 112.703 -179.971 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.48 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 22.6 tp10 176.12 -48.4 0.01 OUTLIER 'General case' 0 C--O 1.232 0.161 0 N-CA-C 113.652 0.982 . . . . 82.97 113.652 179.802 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.527 ' O ' ' HB2' ' A' ' 13' ' ' ASP . 71.8 m-85 -124.78 172.3 9.43 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 114.247 1.203 . . . . 48.99 114.247 -178.177 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.659 ' HA ' ' HB3' ' A' ' 13' ' ' ASP . 20.0 tt0 -127.14 112.47 15.19 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 105.535 -2.024 . . . . 58.76 105.535 178.013 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -100.61 160.57 14.24 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 115.517 1.673 . . . . 42.6 115.517 -178.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.482 ' HG2' ' O ' ' A' ' 584' ' ' HOH . 5.0 ttt180 -170.7 127.75 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.253 -1.017 . . . . 37.66 108.253 179.77 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -102.89 152.19 21.57 Favored 'General case' 0 CA--C 1.507 -0.708 0 C-N-CA 119.458 -0.897 . . . . 28.9 111.201 178.813 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 99.2 t -114.9 141.95 29.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 106.506 -1.664 . . . . 27.65 106.506 179.351 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.3 ttm -111.93 108.22 17.5 Favored 'General case' 0 CA--C 1.499 -0.99 0 N-CA-C 108.201 -1.037 . . . . 28.01 108.201 -178.365 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 mp -87.94 147.83 41.86 Favored Pre-proline 0 C--O 1.247 0.944 0 N-CA-C 107.987 -1.116 . . . . 31.42 107.987 179.824 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -67.47 130.19 21.78 Favored 'Trans proline' 0 CA--C 1.532 0.408 0 N-CA-C 106.327 -2.22 . . . . 17.7 106.327 178.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -48.55 -21.99 0.67 Allowed 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 114.632 1.345 . . . . 28.87 114.632 -178.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -64.09 -25.1 67.95 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 109.749 -0.463 . . . . 68.13 109.749 179.309 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.655 HG13 HD12 ' A' ' 31' ' ' LEU . 0.9 OUTLIER -103.09 0.92 10.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 114.694 1.368 . . . . 42.79 114.694 -177.899 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.87 -32.18 60.49 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.538 1.31 . . . . 23.28 114.538 -179.365 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -68.32 -19.73 64.69 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 114.571 1.323 . . . . 40.24 114.571 -179.809 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.655 HD12 HG13 ' A' ' 28' ' ' ILE . 46.7 mt -81.22 -8.46 59.76 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.714 0.292 . . . . 24.53 111.73 179.197 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 74.7 t -86.01 117.55 68.91 Favored Pre-proline 0 N--CA 1.447 -0.624 0 N-CA-C 109.68 -0.489 . . . . 23.69 109.68 -179.598 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -50.03 136.92 37.09 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 122.947 2.431 . . . . 23.43 109.284 179.541 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -98.41 -25.34 14.84 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 115.547 1.684 . . . . 40.74 115.547 -178.635 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 76.7 p -101.59 -8.15 22.11 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 116.309 1.966 . . . . 40.05 116.309 -178.211 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.535 ' HD2' ' O ' ' A' ' 37' ' ' LEU . 5.7 p-80 -141.81 150.04 41.15 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 113.709 1.003 . . . . 28.4 113.709 179.868 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.535 ' O ' ' HD2' ' A' ' 36' ' ' HIS . 49.2 mt -72.69 150.62 42.78 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 107.285 -1.376 . . . . 18.56 107.285 178.273 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 43.4 mtm -83.59 160.02 21.5 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 113.39 0.885 . . . . 26.32 113.39 -178.898 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.9 p -113.96 155.28 26.13 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 102.818 -3.03 . . . . 28.83 102.818 178.148 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.441 ' O ' ' HB2' ' A' ' 44' ' ' ARG . 37.7 tt0 -39.88 -39.66 0.86 Allowed 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 114.256 1.206 . . . . 46.15 114.256 -179.085 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.2 t -64.3 -44.53 91.32 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.041 -0.664 . . . . 40.18 110.654 -179.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -64.3 -60.24 3.43 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 113.337 0.866 . . . . 32.89 113.337 -178.32 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 6.3 p-90 -62.09 -26.24 68.17 Favored 'General case' 0 CA--C 1.501 -0.928 0 C-N-CA 118.979 -1.088 . . . . 25.33 113.23 -178.861 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.441 ' HB2' ' O ' ' A' ' 40' ' ' GLU . 34.0 ttm-85 -69.71 -23.56 63.43 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.692 -1.225 . . . . 44.09 107.692 179.021 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -78.15 -24.36 47.36 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 114.549 1.315 . . . . 53.61 114.549 179.714 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.6 mt -74.96 -13.9 60.57 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.829 -0.434 . . . . 26.64 109.829 178.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.94 4.97 22.35 Favored Glycine 0 C--N 1.332 0.34 0 CA-C-N 116.215 -0.448 . . . . 26.11 113.218 179.825 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.0 t -75.7 118.45 21.84 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.42 0 CA-C-N 117.359 0.579 . . . . 18.99 110.395 179.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -113.66 122.94 48.69 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.227 -1.027 . . . . 57.69 108.227 179.753 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -170.1 174.06 5.62 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 113.156 0.799 . . . . 31.84 113.156 -179.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' SER . . . . . 0.558 ' HB3' ' CD1' ' A' ' 54' ' ' TRP . 31.4 t -50.44 131.92 24.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.848 -0.615 . . . . 52.3 111.134 179.254 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -52.67 -28.61 22.44 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.751 0.82 . . . . 65.23 112.572 179.305 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.94 -0.96 61.4 Favored Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 116.246 1.258 . . . . 31.58 116.246 -178.828 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.558 ' CD1' ' HB3' ' A' ' 51' ' ' SER . 89.1 m95 -81.04 129.5 34.58 Favored 'General case' 0 C--O 1.239 0.536 0 N-CA-C 109.109 -0.7 . . . . 25.22 109.109 179.804 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 85.1 t -119.25 126.94 75.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 112.47 0.544 . . . . 24.38 112.47 -178.402 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -71.96 103.9 3.35 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 105.68 -1.97 . . . . 23.2 105.68 178.328 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -106.1 -5.25 19.55 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 119.69 3.218 . . . . 21.11 119.69 -175.598 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.3 ttt -166.3 155.58 11.42 Favored 'General case' 0 CA--C 1.509 -0.607 0 C-N-CA 119.877 -0.729 . . . . 23.53 110.507 -178.246 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 25.0 mm -98.02 131.43 45.04 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 N-CA-C 107.587 -1.264 . . . . 21.2 107.587 -179.974 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -86.06 95.93 9.69 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 102.983 -2.969 . . . . 28.52 102.983 178.367 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.556 ' HB2' ' HD3' ' A' ' 62' ' ' PRO . 77.6 mm-40 -50.85 -57.35 13.85 Favored Pre-proline 0 C--N 1.329 -0.291 0 N-CA-C 116.209 1.929 . . . . 32.13 116.209 -177.533 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.556 ' HD3' ' HB2' ' A' ' 61' ' ' GLU . 43.5 Cg_exo -51.97 -41.42 63.94 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.602 2.201 . . . . 32.87 114.097 -179.822 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.423 ' HA ' ' HD2' ' A' ' 64' ' ' PRO . 10.8 mt-10 -137.48 83.7 25.05 Favored Pre-proline 0 N--CA 1.447 -0.595 0 CA-C-O 121.41 0.624 . . . . 52.39 110.761 -179.675 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 63' ' ' GLU . 73.4 Cg_endo -61.38 -8.44 10.61 Favored 'Trans proline' 0 N--CA 1.463 -0.28 1 C-N-CA 126.486 4.791 . . . . 37.38 116.495 -179.816 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -86.02 -7.37 58.68 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 107.139 -1.43 . . . . 31.75 107.139 178.878 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 87.5 mt -102.81 100.19 9.9 Favored 'Isoleucine or valine' 0 C--O 1.246 0.891 0 N-CA-C 107.656 -1.238 . . . . 22.86 107.656 178.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 37.8 mt -73.54 139.26 45.53 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 122.885 0.474 . . . . 19.39 111.412 179.409 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.8 mp -108.08 111.23 23.16 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 113.305 0.854 . . . . 23.57 113.305 -179.856 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -110.42 166.33 11.07 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.969 0.729 . . . . 32.71 112.969 178.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -166.98 156.73 11.02 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.337 -0.986 . . . . 37.88 108.337 178.661 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.539 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 30.1 ptt180 -146.23 153.25 48.37 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 108.437 -0.949 . . . . 41.58 108.437 178.298 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.539 ' HD2' ' HB2' ' A' ' 71' ' ' ARG . 94.8 Cg_endo -58.62 130.12 35.66 Favored 'Trans proline' 0 CA--C 1.511 -0.646 0 C-N-CA 124.933 3.755 . . . . 53.97 113.756 -179.607 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.1 tp -84.7 115.27 59.99 Favored Pre-proline 0 C--N 1.324 -0.5 0 N-CA-C 106.059 -1.83 . . . . 79.22 106.059 178.372 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_exo -60.71 150.33 83.04 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 123.053 2.502 . . . . 88.41 114.248 -179.619 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt 71.99 120.32 0.04 OUTLIER 'General case' 0 C--O 1.234 0.245 0 N-CA-C 114.709 1.374 . . . . 101.43 114.709 179.255 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.9 pttm . . . . . 0 C--O 1.257 1.497 0 CA-C-O 118.161 -0.923 . . . . 104.97 108.561 178.366 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' B' ' 586' ' ' HOH . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 121.561 0.696 . . . . 53.16 112.557 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 61.5 mt -73.67 136.7 24.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 114.772 -1.104 . . . . 27.55 111.187 -179.201 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -127.36 148.84 50.26 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 123.777 0.831 . . . . 35.08 110.887 179.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -118.97 129.3 55.08 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.754 -0.832 . . . . 14.58 108.754 -179.308 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 39.4 p -72.56 177.09 4.9 Favored 'General case' 0 N--CA 1.438 -1.066 0 C-N-CA 120.221 -0.592 . . . . 20.39 111.349 -178.821 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -74.34 176.28 6.86 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 103.166 -2.902 . . . . 63.65 103.166 177.194 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -114.04 145.6 41.36 Favored 'General case' 0 CA--C 1.51 -0.586 0 N-CA-C 113.628 0.973 . . . . 43.44 113.628 -179.221 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 24.5 p90 -135.76 175.46 9.58 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 104.081 -2.563 . . . . 41.7 104.081 176.727 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ASP . . . . . 0.531 ' HB3' ' HA ' ' B' ' 18' ' ' GLU . 3.6 p30 -168.82 139.53 2.43 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 115.165 1.542 . . . . 46.09 115.165 -178.503 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -92.29 -158.88 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.411 -1.329 . . . . 44.44 107.411 177.779 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.405 ' H ' ' HG3' ' B' ' 15' ' ' GLU . 0.0 OUTLIER -59.22 -38.38 79.8 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 116.436 2.014 . . . . 71.48 116.436 -178.522 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.493 ' HG3' ' CD2' ' B' ' 17' ' ' PHE . 16.1 pt-20 -112.09 -26.32 8.9 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 117.21 2.3 . . . . 46.88 117.21 -178.093 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' PHE . . . . . 0.493 ' CD2' ' HG3' ' B' ' 16' ' ' GLU . 64.7 m-85 -117.75 154.11 32.27 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 116.749 2.129 . . . . 33.97 116.749 -178.469 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.531 ' HA ' ' HB3' ' B' ' 13' ' ' ASP . 40.7 tt0 -112.74 111.57 22.46 Favored 'General case' 0 N--CA 1.435 -1.188 0 N-CA-C 104.759 -2.312 . . . . 49.37 104.759 178.638 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -94.01 156.49 16.57 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 116.472 2.027 . . . . 28.9 116.472 -178.497 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.627 ' HG3' ' N ' ' B' ' 21' ' ' HIS . 0.0 OUTLIER -163.42 162.87 25.06 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 104.817 -2.29 . . . . 41.71 104.817 177.838 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' HIS . . . . . 0.627 ' N ' ' HG3' ' B' ' 20' ' ' ARG . 3.6 p-80 -144.93 143.8 30.74 Favored 'General case' 0 CA--C 1.505 -0.763 0 C-N-CA 120.249 -0.581 . . . . 24.02 110.438 178.92 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 62.0 t -103.72 140.41 21.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.543 -0.299 . . . . 29.16 110.733 -178.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 47.1 ttm -112.05 113.51 25.84 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 107.963 -1.125 . . . . 47.32 107.963 179.376 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' LEU . . . . . 0.824 HD22 HD11 ' B' ' 28' ' ' ILE . 5.3 mt -96.26 148.34 34.35 Favored Pre-proline 0 CA--C 1.511 -0.537 0 N-CA-C 113.649 0.981 . . . . 27.23 113.649 -177.288 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -65.77 143.85 75.46 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 N-CA-C 105.724 -2.452 . . . . 36.88 105.724 179.104 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.403 ' HA ' ' HD2' ' B' ' 26' ' ' LYS . 9.9 tptt -50.5 -21.88 1.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 113.462 0.912 . . . . 81.04 113.462 -178.95 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.19 -53.23 58.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.608 -0.724 . . . . 76.14 111.786 179.484 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' ILE . . . . . 0.824 HD11 HD22 ' B' ' 24' ' ' LEU . 7.6 pt -82.99 -17.5 11.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 113.272 0.842 . . . . 56.16 113.272 -178.673 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.27 -16.76 48.9 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 109.03 -0.73 . . . . 48.49 109.03 178.856 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -64.97 -40.37 94.89 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 108.058 -1.09 . . . . 71.85 108.058 178.094 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 9.8 mt -77.95 -6.91 55.92 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 116.647 2.092 . . . . 31.33 116.647 -178.47 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 15.2 t -73.65 114.26 30.49 Favored Pre-proline 0 C--N 1.324 -0.524 0 N-CA-C 108.785 -0.82 . . . . 40.56 108.785 179.642 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -57.8 138.95 88.6 Favored 'Trans proline' 0 CA--C 1.516 -0.382 0 C-N-CA 122.146 1.897 . . . . 26.56 111.74 179.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.424 ' NZ ' ' HB3' ' B' ' 34' ' ' LYS . 1.1 mtpm? -94.73 -17.69 21.96 Favored 'General case' 0 CA--C 1.503 -0.829 0 N-CA-C 113.129 0.789 . . . . 64.27 113.129 -178.351 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 1.1 p -94.15 -14.4 25.69 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 118.495 2.776 . . . . 25.81 118.495 -177.671 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' HIS . . . . . . . . . . . . . 27.1 p80 -153.41 155.28 36.08 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 114.315 1.228 . . . . 17.13 114.315 -178.133 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 61.8 mt -65.44 159.16 24.91 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 105.689 -1.967 . . . . 18.16 105.689 176.021 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' MET . . . . . 0.46 ' HB3' ' HB2' ' B' ' 42' ' ' GLU . 29.0 mtm -98.77 147.01 25.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.902 0.382 . . . . 22.25 110.717 -179.888 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' SER . . . . . 0.485 ' OG ' ' HG3' ' B' ' 42' ' ' GLU . 67.7 p -86.78 166.54 15.17 Favored 'General case' 0 C--O 1.239 0.548 0 N-CA-C 104.414 -2.439 . . . . 33.08 104.414 178.116 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.436 ' HG2' ' HE ' ' B' ' 44' ' ' ARG . 52.1 tt0 -52.76 -44.11 66.25 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 108.871 -0.789 . . . . 55.56 108.871 178.999 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.49 -39.37 76.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.917 -0.583 . . . . 49.4 110.078 -179.782 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.485 ' HG3' ' OG ' ' B' ' 39' ' ' SER . 39.0 mt-10 -67.33 -57.7 6.14 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 113.593 0.96 . . . . 41.41 113.593 -179.0 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' TRP . . . . . 0.414 ' CZ3' ' HG2' ' B' ' 44' ' ' ARG 0.251 21.4 p-90 -61.09 -41.11 96.07 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 118.683 -1.207 . . . . 26.41 113.924 -179.734 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.436 ' HE ' ' HG2' ' B' ' 40' ' ' GLU . 88.9 mtt-85 -58.72 -36.07 73.7 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 109.767 -0.457 . . . . 43.61 109.767 178.318 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -66.15 -25.53 67.01 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.127 -0.629 . . . . 63.35 109.988 179.772 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 27.4 mt -73.85 -31.58 63.25 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 120.608 0.242 . . . . 38.84 110.788 178.804 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 129.12 -15.73 5.82 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.58 -0.819 . . . . 30.47 112.52 -179.291 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 75.7 t -60.1 107.44 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 N-CA-C 109.521 -0.548 . . . . 39.43 109.521 179.464 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -98.25 113.05 24.86 Favored 'General case' 0 C--O 1.222 -0.385 0 N-CA-C 110.625 -0.139 . . . . 65.59 110.625 179.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -148.01 161.73 40.79 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 122.348 0.259 . . . . 47.74 110.641 179.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 53.7 p -70.18 153.91 42.55 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.052 -1.092 . . . . 44.95 108.052 179.267 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -65.2 150.36 48.33 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 105.664 -1.976 . . . . 79.31 105.664 178.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 116.61 -31.79 5.8 Favored Glycine 0 N--CA 1.448 -0.511 0 N-CA-C 106.427 -2.669 . . . . 33.54 106.427 -178.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -82.24 121.94 27.28 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 106.839 -1.541 . . . . 22.31 106.839 178.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 8.1 p -126.9 131.44 71.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 114.74 1.385 . . . . 23.52 114.74 -178.589 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.3 99.37 0.1 Allowed 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 105.619 -1.993 . . . . 21.52 105.619 178.199 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -99.55 -9.52 23.18 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 120.737 3.606 . . . . 20.0 120.737 -175.358 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 49.7 ttm -154.23 137.82 16.01 Favored 'General case' 0 CA--C 1.492 -1.278 0 C-N-CA 118.941 -1.104 . . . . 34.4 111.941 -177.655 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 2.8 mt -86.1 137.56 20.65 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.462 0 N-CA-C 106.483 -1.673 . . . . 42.05 106.483 179.46 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -127.68 95.82 4.34 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 105.433 -2.062 . . . . 71.41 105.433 179.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' GLU . . . . . 0.535 ' N ' ' HD2' ' B' ' 62' ' ' PRO . 4.7 mm-40 -68.43 -40.6 20.33 Favored Pre-proline 0 C--N 1.327 -0.37 0 N-CA-C 116.967 2.21 . . . . 81.94 116.967 -178.448 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' B' ' 61' ' ' GLU . 34.7 Cg_endo -56.3 -29.31 75.91 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 N-CA-C 114.089 0.765 . . . . 68.15 114.089 179.661 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.403 ' HA ' ' HD2' ' B' ' 64' ' ' PRO . 1.3 mp0 -135.79 84.05 33.56 Favored Pre-proline 0 C--N 1.331 -0.221 0 O-C-N 122.205 -0.309 . . . . 80.31 111.79 179.264 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' B' ' 63' ' ' GLU . 72.8 Cg_endo -56.77 -11.96 8.07 Favored 'Trans proline' 0 C--O 1.23 0.122 1 C-N-CA 127.128 5.219 . . . . 49.11 115.818 -179.631 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' HIS . . . . . 0.443 ' H ' ' CD2' ' B' ' 65' ' ' HIS . 2.4 p80 -98.88 2.03 46.25 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.63 0.604 . . . . 41.86 112.63 -179.471 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 24.8 mt -115.32 109.84 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 N-CA-C 109.566 -0.531 . . . . 39.96 109.566 179.67 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 79.5 mt -95.71 123.69 39.39 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.401 -0.592 . . . . 23.79 109.401 178.913 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 3.0 mp -90.19 114.42 26.39 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 122.14 -0.35 . . . . 19.66 110.391 179.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -104.77 165.22 11.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.021 0.438 . . . . 19.52 111.569 178.27 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -152.2 161.75 42.15 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 109.04 -0.726 . . . . 39.18 109.04 -177.105 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -158.9 146.26 13.19 Favored Pre-proline 0 CA--C 1.509 -0.617 0 N-CA-C 107.764 -1.199 . . . . 31.23 107.764 -178.623 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -77.79 140.71 18.72 Favored 'Trans proline' 0 C--O 1.239 0.547 0 N-CA-C 108.284 -1.468 . . . . 32.22 108.284 179.888 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 55.2 mt -53.34 117.91 13.0 Favored Pre-proline 0 C--O 1.242 0.669 0 N-CA-C 108.533 -0.914 . . . . 56.54 108.533 179.355 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -32.68 106.35 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.607 1 C-N-CA 126.358 4.705 . . . . 73.51 115.013 -179.506 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt . . . . . 0 C--O 1.254 1.294 0 N-CA-C 116.982 2.216 . . . . 87.94 116.982 -179.75 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' V7O . . . . . 1.071 ' O16' ' O15' ' A' ' 100' ' ' V7O . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 511' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 513' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 516' ' ' 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 ' 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 ' 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 0 . 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 ' 541' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 543' ' ' 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 ' 551' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 552' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 553' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 556' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 557' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 558' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 559' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 560' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 561' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 562' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 565' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 566' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 567' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 568' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 569' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 570' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 571' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 572' ' ' HOH . . . . . 0.464 ' O ' ' N ' ' A' ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 581' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 582' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 583' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 584' ' ' HOH . . . . . 0.482 ' O ' ' HG2' ' A' ' 20' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 505' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 508' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 512' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 538' ' ' HOH . . . . . 0.453 ' O ' ' HB3' ' B' ' 21' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 539' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 555' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 573' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 574' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 575' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 576' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 578' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 579' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 585' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 586' ' ' HOH . . . . . 0.495 ' O ' ' N ' ' B' ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 587' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_