data_1skv_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 1skv _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.495 1.78 0 CA-C-O 120.998 0.428 . . . . 95.8 111.739 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.27 -23.0 32.87 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.677 -0.49 . . . . 90.22 109.677 -177.733 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -72.46 -24.41 61.19 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.791 -0.64 . . . . 96.53 112.264 179.002 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.0 m -94.06 -30.31 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 N-CA-C 113.773 1.027 . . . . 81.59 113.773 173.589 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.7 tp -65.44 -32.63 74.35 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.76 0.824 . . . . 76.99 110.05 169.267 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -72.73 -50.19 26.28 Favored 'General case' 0 C--O 1.252 1.208 0 CA-C-O 121.215 0.531 . . . . 71.43 110.379 172.073 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -61.93 -30.85 71.18 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 115.55 -0.75 . . . . 76.08 111.58 -173.284 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -82.35 -36.0 27.27 Favored 'General case' 0 C--O 1.236 0.37 0 O-C-N 123.688 0.617 . . . . 80.48 111.576 179.038 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.8 mt -59.95 -42.17 93.5 Favored 'General case' 0 CA--C 1.502 -0.871 0 O-C-N 124.141 0.9 . . . . 60.75 110.409 170.696 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -62.96 -32.28 73.57 Favored 'General case' 0 CA--C 1.504 -0.795 0 C-N-CA 118.348 -1.341 . . . . 59.63 110.908 176.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.27 -46.4 33.83 Favored 'General case' 0 C--O 1.211 -0.949 0 N-CA-C 108.214 -1.032 . . . . 73.39 108.214 -175.443 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' MSE . . . . . . . . . . . . . 1.5 mtm -57.21 -48.99 77.4 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 111.737 0.273 . . . . 99.43 111.737 176.25 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.1 mt -53.25 -47.15 69.3 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 113.16 0.8 . . . . 49.25 113.16 176.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -65.97 -40.63 91.43 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 122.809 1.29 . . . . 55.34 111.961 -175.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -72.75 -44.01 62.17 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 108.593 -0.892 . . . . 81.04 108.593 -176.239 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -63.86 -36.91 85.46 Favored 'General case' 0 N--CA 1.452 -0.335 0 O-C-N 124.805 1.316 . . . . 50.14 114.436 179.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.4 t -71.36 -40.64 73.43 Favored 'Isoleucine or valine' 0 C--O 1.251 1.14 0 C-N-CA 120.094 -0.642 . . . . 43.79 110.523 177.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.09 -43.38 98.96 Favored 'General case' 0 N--CA 1.483 1.213 0 O-C-N 124.057 0.848 . . . . 63.96 108.998 179.236 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . 0.517 ' OE1' ' NZ ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -53.04 -50.12 64.94 Favored 'General case' 0 CA--C 1.507 -0.695 0 C-N-CA 124.115 0.966 . . . . 69.76 111.446 169.379 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.78 -44.34 86.18 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 120.678 -0.409 . . . . 38.2 110.291 -177.914 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.06 -53.08 62.34 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 114.218 1.192 . . . . 39.68 114.218 177.708 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.6 m -52.32 -44.87 65.35 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.266 -0.425 . . . . 52.05 110.245 175.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 28.4 mt -59.19 -48.66 80.79 Favored 'General case' 0 C--O 1.243 0.717 0 O-C-N 124.749 1.28 . . . . 37.77 112.546 179.284 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.3 mm -53.27 -40.53 39.66 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.847 0 CA-C-O 121.659 0.742 . . . . 41.47 109.636 173.791 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' HIS . . . . . 0.468 ' NE2' ' OD1' ' B' ' 15' ' ' ASP . 65.6 m170 -69.75 -42.9 73.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.169 -0.469 . . . . 40.6 110.299 -175.99 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -69.11 -42.97 75.39 Favored 'General case' 0 CA--C 1.498 -1.041 0 O-C-N 123.69 0.619 . . . . 66.27 112.149 179.139 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.7 mt -59.46 -43.39 90.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 N-CA-C 113.886 1.069 . . . . 42.13 113.886 177.59 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 35.2 tptt -50.0 -51.43 41.94 Favored 'General case' 0 CA--C 1.503 -0.852 0 O-C-N 123.15 0.282 . . . . 44.17 111.645 171.072 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.6 mm -59.43 -49.34 83.92 Favored 'Isoleucine or valine' 0 C--O 1.243 0.733 0 C-N-CA 119.948 -0.701 . . . . 43.5 110.343 -177.34 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -48.95 -34.26 12.56 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 115.666 1.728 . . . . 53.83 115.666 172.762 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ARG . . . . . 0.44 ' NE ' ' OE2' ' B' ' 7' ' ' GLU . 18.1 mmm180 -76.35 -51.8 11.18 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 117.83 0.286 . . . . 66.5 111.213 -179.921 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 75.5 mt -53.31 -37.19 28.07 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 N-CA-C 106.166 -1.79 . . . . 53.59 106.166 -179.85 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.89 -9.88 47.33 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 116.49 2.033 . . . . 55.78 116.49 -169.44 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.66 26.75 73.68 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 115.936 1.134 . . . . 51.68 115.936 -176.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 -63.54 131.91 49.59 Favored 'General case' 0 N--CA 1.441 -0.88 0 O-C-N 121.508 -0.995 . . . . 66.54 112.319 -179.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' MSE . . . . . . . . . . . . . 13.6 mtm -78.62 -26.01 45.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.027 -0.533 . . . . 107.44 111.12 -170.856 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -72.73 112.68 8.99 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 116.173 -0.467 . . . . 69.35 110.271 173.317 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -104.11 11.12 35.53 Favored 'General case' 0 C--O 1.214 -0.799 0 CA-C-N 115.693 -0.685 . . . . 68.38 109.807 -176.288 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -62.95 -22.64 66.94 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 115.928 1.825 . . . . 73.67 115.928 -171.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.5 mttp -75.8 -30.3 59.02 Favored 'General case' 0 N--CA 1.435 -1.193 0 N-CA-C 108.938 -0.764 . . . . 54.43 108.938 -178.049 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.4 tp -66.57 -43.37 85.16 Favored 'General case' 0 CA--C 1.566 1.59 0 N-CA-C 112.908 0.707 . . . . 47.74 112.908 173.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.88 -33.04 58.21 Favored Glycine 0 C--N 1.335 0.523 0 C-N-CA 120.559 -0.829 . . . . 48.6 111.678 179.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' LYS . . . . . 0.517 ' NZ ' ' OE1' ' A' ' 20' ' ' GLU . 15.5 tttm -61.37 -40.93 96.11 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 119.879 -0.728 . . . . 54.71 111.825 169.461 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.89 -38.43 78.85 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 111.95 0.352 . . . . 43.11 111.95 173.078 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -68.52 -42.58 78.33 Favored 'General case' 0 C--O 1.2 -1.53 0 N-CA-C 107.498 -1.297 . . . . 52.93 107.498 -178.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -61.94 -39.36 91.82 Favored 'General case' 0 CA--C 1.513 -0.456 0 C-N-CA 124.599 1.16 . . . . 49.88 109.45 177.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -64.23 -45.42 88.3 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-O 117.205 -1.379 . . . . 42.58 112.418 -177.739 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -59.05 -34.64 53.76 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 C-N-CA 118.988 -1.085 . . . . 46.45 113.025 176.733 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -76.3 -28.7 57.08 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-O 122.073 0.939 . . . . 57.26 110.293 -172.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.17 -38.39 36.01 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 113.541 -1.663 . . . . 51.23 109.796 175.289 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.0 mt -59.81 -45.0 95.26 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.311 0 O-C-N 121.768 -0.582 . . . . 42.02 111.937 170.395 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -55.75 -42.64 75.74 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.267 1.427 . . . . 60.28 112.628 175.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.55 -35.91 52.77 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.408 -0.808 . . . . 50.11 110.328 -175.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -62.28 -49.8 74.22 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 123.231 0.612 . . . . 57.84 112.337 174.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 25.2 tp -61.72 -37.66 85.0 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.962 -0.563 . . . . 48.35 111.799 178.982 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -62.41 -46.79 86.98 Favored 'General case' 0 CA--C 1.55 0.957 0 O-C-N 123.377 0.423 . . . . 54.62 109.916 176.281 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -58.39 -46.66 85.94 Favored 'General case' 0 CA--C 1.496 -1.097 0 N-CA-C 110.131 -0.322 . . . . 72.53 110.131 174.872 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 48.5 tp -59.89 -34.72 73.55 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 123.461 0.475 . . . . 56.08 110.006 -178.167 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 24.3 mt -68.44 -46.81 79.83 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 C-N-CA 119.518 -0.873 . . . . 51.81 112.048 178.272 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.61 -29.53 70.54 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 124.876 1.27 . . . . 63.59 113.034 -178.713 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.0 t -88.08 -35.39 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 124.945 1.298 . . . . 68.86 111.157 179.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.19 -28.6 69.78 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 112.991 0.737 . . . . 79.37 112.991 -178.393 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -139.19 123.54 18.18 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 108.731 -0.84 . . . . 89.23 108.731 -176.524 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 112.291 0.478 . . . . 99.89 112.291 172.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' LEU . . . . . 0.604 ' CD1' ' OE2' ' B' ' 9' ' ' GLU . 10.6 tp . . . . . 0 N--CA 1.477 0.907 0 CA-C-O 122.048 0.927 . . . . 86.76 109.663 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' GLU . . . . . 0.44 ' OE2' ' NE ' ' A' ' 32' ' ' ARG . 78.2 tt0 -55.98 -43.3 77.46 Favored 'General case' 0 C--O 1.253 1.274 0 CA-C-N 115.195 -0.912 . . . . 64.1 111.796 172.733 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -51.15 -51.54 52.66 Favored 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 107.739 -1.208 . . . . 77.21 107.739 176.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' GLU . . . . . 0.604 ' OE2' ' CD1' ' B' ' 6' ' ' LEU . 5.1 mt-10 -70.35 -38.8 74.9 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 113.329 0.863 . . . . 83.57 113.329 -174.155 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 5.4 mt -57.5 -48.25 79.75 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 109.079 -0.712 . . . . 51.96 109.079 178.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -63.02 -40.94 99.24 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 123.971 0.794 . . . . 43.28 108.986 -179.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -62.33 -42.27 99.24 Favored 'General case' 0 C--N 1.314 -0.963 0 C-N-CA 118.226 -1.39 . . . . 67.91 112.865 -179.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' MSE . . . . . . . . . . . . . 37.1 mtm -69.63 -47.09 64.63 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.119 -0.491 . . . . 95.33 111.232 -177.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 8.4 mt -46.03 -52.86 11.14 Favored 'General case' 0 C--N 1.345 0.409 0 C-N-CA 125.008 1.323 . . . . 46.48 111.864 173.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' ASP . . . . . 0.468 ' OD1' ' NE2' ' A' ' 26' ' ' HIS . 25.4 t70 -65.93 -45.79 80.54 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 109.299 -0.63 . . . . 58.36 109.299 -176.258 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 59.6 tt0 -62.22 -39.46 92.87 Favored 'General case' 0 CA--C 1.563 1.463 0 N-CA-C 112.281 0.474 . . . . 63.82 112.281 176.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -72.45 -43.03 64.33 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.043 -1.036 . . . . 49.15 110.781 -177.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 48.7 t -61.15 -40.38 85.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 N-CA-C 113.136 0.791 . . . . 43.84 113.136 176.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 66.8 mtt-85 -60.29 -54.56 44.31 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-O 121.822 0.82 . . . . 72.77 108.811 176.156 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -50.89 -34.97 30.51 Favored 'General case' 0 N--CA 1.424 -1.735 0 CA-C-N 115.078 -0.965 . . . . 76.36 110.807 -179.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.29 -38.15 74.97 Favored 'General case' 0 CA--C 1.509 -0.616 0 C-N-CA 120.259 -0.576 . . . . 47.58 110.248 -177.266 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -52.02 67.56 Favored 'General case' 0 CA--C 1.511 -0.535 0 O-C-N 123.845 0.716 . . . . 50.73 109.434 176.64 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 6.0 m -52.34 -44.44 65.17 Favored 'General case' 0 N--CA 1.435 -1.198 0 O-C-N 124.426 1.079 . . . . 60.98 110.252 177.187 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.64 -48.83 68.18 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 115.007 -0.997 . . . . 51.97 109.837 -174.963 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 32.7 mm -50.24 -42.66 20.58 Favored 'Isoleucine or valine' 0 C--O 1.254 1.293 0 N-CA-C 112.563 0.579 . . . . 52.2 112.563 172.703 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 68.2 m170 -63.74 -54.34 36.96 Favored 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.515 0.51 . . . . 64.08 109.97 -178.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' GLU . . . . . 0.528 ' OE1' ' CE ' ' B' ' 41' ' ' LYS . 3.2 mt-10 -48.99 -47.76 44.04 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 125.224 1.41 . . . . 75.13 111.248 173.556 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 52.9 mt -63.73 -43.47 98.02 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.218 0 C-N-CA 118.929 -1.109 . . . . 56.92 111.239 178.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -51.29 -57.83 7.81 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.151 0.887 . . . . 71.82 112.072 179.157 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 21.6 mm -49.59 -47.33 20.97 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.116 0 N-CA-C 116.605 2.076 . . . . 68.14 116.605 169.44 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -52.86 -44.65 66.96 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 113.933 1.086 . . . . 76.04 113.933 176.075 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -56.61 -49.21 75.62 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.167 -0.679 . . . . 81.21 109.167 172.257 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -80.3 -18.68 12.22 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.49 0 N-CA-C 113.603 0.964 . . . . 86.7 113.603 -168.341 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 4.4 p -84.66 13.02 6.12 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 106.813 -1.551 . . . . 85.68 106.813 170.845 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 41.99 82.25 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 N-CA-C 109.26 -1.536 . . . . 85.56 109.26 -166.677 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -138.3 163.18 32.47 Favored 'General case' 0 C--O 1.242 0.693 0 N-CA-C 113.497 0.925 . . . . 90.55 113.497 -172.579 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' MSE . . . . . . . . . . . . . 0.4 OUTLIER -77.02 99.67 5.38 Favored 'General case' 0 C--O 1.249 1.05 0 CA-C-O 122.166 0.984 . . . . 144.35 110.129 176.639 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -99.3 -4.57 31.51 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 114.09 -1.413 . . . . 84.9 108.332 -177.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -51.25 -57.08 9.78 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.897 0.703 . . . . 65.78 112.897 -174.141 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -34.08 70.71 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 119.308 -0.957 . . . . 70.36 110.561 -178.444 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' LYS . . . . . 0.528 ' CE ' ' OE1' ' B' ' 27' ' ' GLU . 17.7 mttt -76.36 -35.89 58.45 Favored 'General case' 0 N--CA 1.433 -1.293 0 CA-C-N 116.4 -0.363 . . . . 55.66 110.322 -178.19 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -47.45 83.91 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 119.5 -0.88 . . . . 50.29 110.334 172.181 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.9 -43.75 97.07 Favored Glycine 0 C--N 1.347 1.181 0 C-N-CA 125.123 1.344 . . . . 44.01 113.124 -178.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 72.1 tttt -57.28 -46.92 82.65 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 115.333 -0.433 . . . . 46.94 111.111 171.096 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.52 -43.93 80.28 Favored 'General case' 0 C--O 1.252 1.228 0 CA-C-N 118.296 0.498 . . . . 46.6 111.521 172.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -52.0 -52.02 53.44 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 120.569 -0.452 . . . . 48.1 111.112 178.774 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -70.29 -29.54 66.33 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-O 121.292 0.567 . . . . 38.61 110.57 -177.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -63.54 -49.44 73.47 Favored 'General case' 0 C--N 1.307 -1.241 0 C-N-CA 119.638 -0.825 . . . . 55.36 112.359 179.274 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 46.9 t -59.31 -39.1 78.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 113.853 1.057 . . . . 39.28 113.853 172.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -60.75 -44.02 97.23 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 119.133 -1.027 . . . . 37.83 109.507 175.68 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -64.39 -38.9 92.65 Favored 'General case' 0 N--CA 1.445 -0.715 0 O-C-N 121.912 -0.492 . . . . 44.43 110.883 179.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 11.7 mt -62.66 -44.26 99.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 C-N-CA 119.721 -0.791 . . . . 37.61 110.228 175.257 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -39.36 76.04 Favored 'General case' 0 C--O 1.214 -0.808 0 N-CA-C 109.035 -0.728 . . . . 83.59 109.035 179.776 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.47 -43.85 63.12 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 120.281 -0.567 . . . . 34.15 109.777 -173.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -59.49 -39.45 83.8 Favored 'General case' 0 C--O 1.209 -1.069 0 N-CA-C 116.748 2.129 . . . . 45.89 116.748 170.298 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.08 -29.47 67.58 Favored 'General case' 0 C--O 1.247 0.955 0 O-C-N 121.252 -0.905 . . . . 46.44 111.219 175.29 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -70.73 -45.73 64.34 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 123.846 0.716 . . . . 45.65 110.998 177.28 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -58.36 -40.38 82.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.671 -0.695 . . . . 58.1 111.454 168.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 14.9 tp -60.72 -45.02 95.86 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.105 -0.638 . . . . 48.67 110.675 177.079 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 55.7 mt -58.75 -37.81 68.29 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.705 0 N-CA-C 113.514 0.931 . . . . 44.56 113.514 173.82 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.26 -60.27 2.95 Favored 'General case' 0 C--O 1.203 -1.354 0 CA-C-N 119.071 0.85 . . . . 69.68 109.948 179.101 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 7.0 t -39.41 -49.75 0.51 Allowed 'Isoleucine or valine' 0 C--O 1.207 -1.173 0 N-CA-C 115.028 1.492 . . . . 53.09 115.028 168.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 19.5 m -66.89 -4.37 9.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 121.139 -0.975 . . . . 68.83 111.709 -176.956 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' HIS . . . . . 0.448 ' CD2' ' O ' ' B' ' 64' ' ' HIS . 25.4 t60 -117.36 23.05 12.06 Favored 'General case' 0 N--CA 1.438 -1.075 0 C-N-CA 119.552 -0.859 . . . . 82.06 111.349 -168.728 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' HIS . . . . . . . . . . . . . 21.3 t60 60.88 51.04 4.86 Favored 'General case' 0 C--O 1.251 1.134 0 N-CA-C 108.26 -1.015 . . . . 98.63 108.26 -177.35 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.241 0.626 0 CA-C-N 115.519 -0.764 . . . . 96.48 110.673 -174.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' GLU . . . . . 0.643 ' OE1' ' CA ' ' C' ' 7' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.757 0 CA-C-O 121.615 0.721 . . . . 90.0 112.771 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -5.41 1.83 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 114.331 -1.304 . . . . 90.8 111.492 168.314 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -80.17 9.65 5.38 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 113.218 0.822 . . . . 96.8 113.218 179.26 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' LEU . . . . . . . . . . . . . 3.5 mt -97.33 -22.4 16.66 Favored 'General case' 0 C--O 1.24 0.603 0 N-CA-C 109.22 -0.659 . . . . 88.65 109.22 170.4 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -82.12 -36.92 27.0 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.474 -0.936 . . . . 82.03 108.474 171.869 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -59.47 -36.07 75.29 Favored 'General case' 0 C--O 1.242 0.661 0 N-CA-C 107.567 -1.271 . . . . 91.04 107.567 172.679 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' MSE . . . . . . . . . . . . . 5.6 mmm -55.3 -71.27 0.09 Allowed 'General case' 0 C--O 1.243 0.745 0 CA-C-N 114.832 -1.076 . . . . 115.78 110.739 169.982 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 8.2 mt -47.93 -54.78 11.65 Favored 'General case' 0 CA--C 1.499 -1.006 0 C-N-CA 124.223 1.009 . . . . 75.8 111.211 -174.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -52.66 -54.59 31.34 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.363 -0.835 . . . . 82.64 112.54 -173.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -59.63 -37.29 78.26 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 116.463 2.023 . . . . 91.41 116.463 177.172 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -73.16 -38.97 66.02 Favored 'General case' 0 C--O 1.241 0.637 0 C-N-CA 123.049 0.539 . . . . 58.54 111.667 -174.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 40.7 t -69.19 -37.88 77.02 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.758 0 CA-C-N 114.94 -1.027 . . . . 59.29 110.121 175.378 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 14.5 mtt-85 -59.08 -45.52 90.61 Favored 'General case' 0 C--O 1.248 0.994 0 N-CA-C 112.534 0.568 . . . . 78.04 112.534 169.654 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 29.5 tp10 -63.13 -39.22 94.04 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 108.531 -0.915 . . . . 65.72 108.531 -177.673 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -50.99 71.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.069 -0.969 . . . . 50.01 108.705 178.711 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 22' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.1 -53.27 35.72 Favored 'General case' 0 C--O 1.251 1.172 0 O-C-N 123.553 0.533 . . . . 48.54 112.052 178.357 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 20.2 m -53.27 -39.73 64.12 Favored 'General case' 0 CA--C 1.511 -0.526 0 O-C-N 124.353 1.033 . . . . 49.72 112.742 176.276 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 24' ' ' LEU . . . . . . . . . . . . . 75.7 mt -66.9 -46.79 73.8 Favored 'General case' 0 CA--C 1.512 -0.499 0 C-N-CA 119.59 -0.844 . . . . 43.43 110.076 -178.253 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 2.5 mm -55.79 -41.52 66.4 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.209 0 N-CA-C 107.307 -1.368 . . . . 45.94 107.307 179.6 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 26' ' ' HIS . . . . . 0.412 ' CE1' ' OD1' ' D' ' 15' ' ' ASP . 5.1 m-70 -64.12 -48.56 75.61 Favored 'General case' 0 C--O 1.25 1.129 0 N-CA-C 112.896 0.702 . . . . 46.64 112.896 -177.789 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -64.58 -42.23 95.74 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 116.042 -0.526 . . . . 67.41 111.95 177.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 28' ' ' ILE . . . . . . . . . . . . . 59.6 mt -63.52 -37.78 80.48 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 N-CA-C 108.241 -1.022 . . . . 40.35 108.241 -176.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 10.3 tptt -59.85 -52.99 63.07 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.599 0.714 . . . . 42.11 110.915 176.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 39.5 mm -51.77 -45.53 38.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 C-N-CA 118.866 -1.133 . . . . 47.1 113.797 173.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 31' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -57.24 -40.18 77.08 Favored 'General case' 0 C--O 1.248 0.984 0 CA-C-N 118.236 0.471 . . . . 52.99 110.614 178.053 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -63.19 -52.67 61.41 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 118.663 -1.215 . . . . 54.21 109.809 -177.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 29.3 mt -54.78 -43.48 67.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 119.014 -0.517 . . . . 53.84 111.024 177.475 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 34' ' ' THR . . . . . . . . . . . . . 71.8 p -77.38 -18.61 57.18 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 115.703 1.742 . . . . 51.73 115.703 -179.891 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.35 5.61 87.68 Favored Glycine 0 CA--C 1.534 1.279 0 N-CA-C 115.943 1.137 . . . . 60.69 115.943 -172.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 36' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -73.31 160.16 32.27 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.867 0.867 . . . . 75.61 112.571 170.618 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 37' ' ' MSE . . . . . . . . . . . . . 12.3 mtp -73.91 115.24 13.13 Favored 'General case' 0 C--O 1.25 1.122 0 N-CA-C 116.877 2.177 . . . . 123.51 116.877 -165.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -99.15 -12.7 20.23 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 114.274 -1.33 . . . . 62.58 113.354 -171.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 39' ' ' LYS . . . . . 0.519 ' NZ ' ' CE1' ' D' ' 66' ' ' HIS . 0.0 OUTLIER -57.4 -52.64 64.55 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 114.706 1.373 . . . . 70.87 114.706 -164.508 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' C' C ' 40' ' ' GLN . . . . . 0.446 ' NE2' ' ND1' ' A' ' 26' ' ' HIS . 11.4 tm0? -56.69 -52.32 65.38 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 109.549 -0.537 . . . . 57.4 109.549 179.612 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 6.5 mtmm -60.4 -40.67 91.78 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 112.796 0.665 . . . . 64.11 112.796 177.594 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 12.3 tp -57.84 -45.58 86.03 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 119.504 -0.878 . . . . 47.32 112.565 175.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.29 -39.28 95.88 Favored Glycine 0 C--O 1.251 1.204 0 N-CA-C 109.382 -1.487 . . . . 42.04 109.382 178.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -60.69 -46.23 91.15 Favored 'General case' 0 N--CA 1.438 -1.066 0 C-N-CA 119.415 -0.914 . . . . 51.16 110.733 178.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.88 -43.65 81.49 Favored 'General case' 0 C--O 1.264 1.843 0 C-N-CA 124.602 1.161 . . . . 41.8 109.886 177.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 46' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -50.87 -53.02 36.01 Favored 'General case' 0 C--N 1.357 0.929 0 O-C-N 124.343 1.027 . . . . 52.84 108.431 175.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -67.26 -33.15 74.72 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 112.878 0.695 . . . . 40.29 112.878 -178.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -55.71 -46.16 77.74 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 121.439 -0.788 . . . . 56.34 111.479 173.136 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 50.8 t -58.71 -58.77 5.29 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 CA-C-N 116.069 -0.514 . . . . 56.42 110.905 178.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -48.48 -45.11 36.47 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 112.534 0.568 . . . . 57.78 112.534 174.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 51' ' ' LYS . . . . . 0.531 ' O ' ' CG ' ' C' ' 55' ' ' GLU . 14.8 tttt -56.75 -34.86 67.96 Favored 'General case' 0 C--O 1.213 -0.832 0 C-N-CA 120.736 -0.385 . . . . 64.95 110.787 176.782 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 6.7 mt -76.17 -38.03 33.57 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.992 0 N-CA-C 107.603 -1.258 . . . . 59.48 107.603 -174.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -59.07 -55.28 37.04 Favored 'General case' 0 N--CA 1.439 -0.99 0 N-CA-C 105.466 -2.05 . . . . 69.65 105.466 178.125 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 54' ' ' ALA . . . . . . . . . . . . . . . -46.81 -53.41 12.04 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 114.919 -1.037 . . . . 70.32 111.248 -176.859 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 55' ' ' GLU . . . . . 0.531 ' CG ' ' O ' ' C' ' 51' ' ' LYS . 0.0 OUTLIER -56.89 -48.13 78.9 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 123.009 0.193 . . . . 77.51 111.346 176.352 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.18 -55.81 24.32 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 122.041 -0.412 . . . . 77.19 110.48 178.328 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 57' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -54.21 -48.97 70.45 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 124.679 1.192 . . . . 87.97 112.561 -178.02 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.93 -64.67 0.74 Allowed 'General case' 0 C--O 1.237 0.398 0 N-CA-C 108.12 -1.067 . . . . 88.05 108.12 172.13 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.11 1.97 6.58 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 116.093 1.886 . . . . 84.81 116.093 -173.013 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -77.49 -48.32 24.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 N-CA-C 108.594 -0.891 . . . . 82.49 108.594 163.077 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.09 -40.43 96.23 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 114.62 1.341 . . . . 85.44 114.62 -178.538 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -77.59 3.95 1.4 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.321 0 N-CA-C 115.182 1.549 . . . . 85.22 115.182 172.371 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.78 -44.65 6.99 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 119.515 -0.874 . . . . 94.19 111.478 177.633 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 64' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 . . . . . 0 CA--C 1.536 0.437 0 CA-C-O 121.447 0.641 . . . . 108.29 111.015 174.609 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 78.2 p . . . . . 0 N--CA 1.507 2.413 0 N-CA-C 113.757 1.021 . . . . 93.31 113.757 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 1.8 mmtm -78.16 -23.28 47.75 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 108.106 -1.072 . . . . 89.63 108.106 168.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -47.85 -50.58 25.89 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.631 1.973 . . . . 93.76 111.55 167.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 23.3 m -81.54 -35.91 14.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.02 -0.733 . . . . 66.86 109.02 -175.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 35.8 tp -56.05 -48.89 75.17 Favored 'General case' 0 CA--C 1.572 1.809 0 C-N-CA 119.531 -0.868 . . . . 59.61 111.616 171.027 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -59.98 -41.19 91.45 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 109.721 -0.474 . . . . 50.39 109.721 178.754 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -64.14 -44.58 91.71 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-O 121.807 0.813 . . . . 70.14 111.089 -177.179 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 9' ' ' GLU . . . . . 0.424 ' OE2' ' CE ' ' D' ' 13' ' ' MSE . 3.6 tm-20 -64.63 -39.84 94.42 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.521 -1.218 . . . . 87.71 111.019 179.231 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 10' ' ' LEU . . . . . . . . . . . . . 17.0 mt -67.31 -42.97 82.79 Favored 'General case' 0 CA--C 1.486 -1.491 0 N-CA-C 109.517 -0.549 . . . . 45.64 109.517 -178.399 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -55.24 -49.32 72.3 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 123.951 0.782 . . . . 48.87 110.878 175.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 12' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -65.47 -45.05 85.19 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 113.681 0.993 . . . . 77.56 113.681 -178.151 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 13' ' ' MSE . . . . . 0.424 ' CE ' ' OE2' ' D' ' 9' ' ' GLU . 34.8 ttm -57.97 -42.54 85.22 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 116.033 -0.53 . . . . 98.85 112.101 175.449 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 26.9 tp -64.99 -42.91 94.11 Favored 'General case' 0 C--O 1.257 1.489 0 CA-C-N 115.619 -0.719 . . . . 48.7 111.602 178.705 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 15' ' ' ASP . . . . . 0.412 ' OD1' ' CE1' ' C' ' 26' ' ' HIS . 2.1 t70 -57.57 -46.66 83.69 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 116.262 1.949 . . . . 56.97 116.262 171.356 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -65.56 -46.4 79.64 Favored 'General case' 0 CA--C 1.508 -0.673 0 C-N-CA 117.339 -1.744 . . . . 65.42 111.429 -178.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -50.41 -45.31 55.59 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 115.576 1.695 . . . . 57.51 115.576 173.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 48.0 t -67.44 -44.44 86.85 Favored 'Isoleucine or valine' 0 C--O 1.252 1.189 0 N-CA-C 113.03 0.752 . . . . 53.37 113.03 175.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.1 -50.69 68.57 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-O 121.596 0.713 . . . . 70.1 110.812 171.51 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -47.71 -69.7 0.12 Allowed 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.198 -0.91 . . . . 78.68 110.303 173.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 21' ' ' LEU . . . . . . . . . . . . . 14.1 tp -45.11 -43.66 9.86 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 124.242 1.017 . . . . 67.8 111.253 178.785 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.62 -27.52 69.27 Favored 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 113.861 1.06 . . . . 78.09 113.861 176.81 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 58.3 m -71.68 -48.83 44.86 Favored 'General case' 0 C--O 1.247 0.948 0 CA-C-N 115.653 -0.703 . . . . 77.33 109.135 172.579 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 24' ' ' LEU . . . . . . . . . . . . . 7.4 mt -49.13 -50.08 39.08 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.521 0.513 . . . . 76.34 110.438 -179.929 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 31.7 mm -54.77 -48.78 72.71 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 O-C-N 123.314 0.384 . . . . 81.9 111.46 -177.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 26' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -68.57 -47.54 66.53 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.996 0.739 . . . . 93.15 112.996 -174.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.35 -53.43 8.56 Favored 'General case' 0 CA--C 1.557 1.248 0 CA-C-N 114.868 -1.06 . . . . 91.88 110.848 162.317 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 28' ' ' ILE . . . . . . . . . . . . . 27.8 mm -63.22 -36.21 75.09 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 N-CA-C 113.124 0.787 . . . . 86.03 113.124 179.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.608 0 O-C-N 124.179 0.924 . . . . 87.59 113.424 179.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.562 0 N-CA-C 110.058 -0.349 . . . . 82.77 110.058 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.87 -36.81 75.24 Favored 'General case' 0 C--O 1.256 1.434 0 C-N-CA 125.956 1.703 . . . . 89.07 111.703 -179.74 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 41' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -89.43 -28.11 19.95 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 115.36 1.615 . . . . 77.66 115.36 -171.06 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.87 -47.99 83.85 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 109.468 -0.567 . . . . 79.28 109.468 168.048 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 43' ' ' GLY . . . . . 0.406 ' O ' ' CE1' ' D' ' 47' ' ' PHE . . . -58.63 -32.69 69.78 Favored Glycine 0 C--O 1.242 0.605 0 N-CA-C 110.782 -0.927 . . . . 69.89 110.782 175.547 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 44' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -72.41 -47.28 50.41 Favored 'General case' 0 C--O 1.261 1.71 0 CA-C-O 121.885 0.85 . . . . 73.03 111.825 -175.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -42.79 -40.5 2.87 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 113.787 -1.551 . . . . 69.55 110.965 167.101 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 46' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -70.11 -35.05 73.84 Favored 'General case' 0 C--O 1.214 -0.779 0 C-N-CA 119.802 -0.759 . . . . 66.46 112.957 -175.174 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 47' ' ' PHE . . . . . 0.406 ' CE1' ' O ' ' D' ' 43' ' ' GLY . 23.9 m-85 -72.98 -31.79 64.77 Favored 'General case' 0 C--O 1.246 0.9 0 CA-C-O 122.079 0.942 . . . . 77.7 111.077 -176.973 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 48' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -61.3 -58.13 9.53 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-N 112.544 -2.116 . . . . 74.98 108.102 178.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 50.2 t -51.08 -34.83 14.52 Favored 'Isoleucine or valine' 0 C--O 1.246 0.915 0 C-N-CA 124.295 1.038 . . . . 65.3 113.218 175.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.59 -31.84 70.23 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.046 -0.724 . . . . 81.56 109.046 -178.192 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 51' ' ' LYS . . . . . . . . . . . . . 8.4 tptm -74.29 -47.95 31.59 Favored 'General case' 0 C--O 1.261 1.704 0 CA-C-O 121.798 0.809 . . . . 63.32 109.63 177.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 52' ' ' ILE . . . . . . . . . . . . . 66.2 mt -50.26 -50.01 21.68 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 CA-C-N 114.463 -1.244 . . . . 49.91 109.199 172.324 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -49.94 -46.59 52.32 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.59 0.959 . . . . 67.06 113.59 175.105 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.04 -32.74 63.45 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 117.886 -1.526 . . . . 50.32 115.048 -177.888 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 55' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -62.94 -42.66 99.88 Favored 'General case' 0 C--O 1.265 1.877 0 N-CA-C 113.206 0.817 . . . . 64.23 113.206 173.041 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 12.6 tp -61.24 -49.91 75.19 Favored 'General case' 0 CA--C 1.494 -1.188 0 N-CA-C 108.142 -1.059 . . . . 47.43 108.142 179.063 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -51.08 -54.81 21.53 Favored 'General case' 0 CA--C 1.503 -0.857 0 O-C-N 124.402 1.064 . . . . 69.6 109.978 178.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 58' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -57.45 -44.43 84.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.365 -0.834 . . . . 67.25 112.606 178.594 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 59' ' ' LEU . . . . . 0.548 ' O ' ' OG ' ' D' ' 63' ' ' SER . 20.2 tp -60.19 -40.87 91.56 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 120.706 -0.398 . . . . 44.91 111.783 179.042 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 60' ' ' ILE . . . . . . . . . . . . . 21.8 mt -59.69 -48.18 88.41 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 N-CA-C 109.522 -0.547 . . . . 48.32 109.522 176.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.32 -47.14 76.1 Favored 'General case' 0 C--O 1.253 1.278 0 CA-C-N 116.304 -0.407 . . . . 79.32 111.398 179.424 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 62' ' ' VAL . . . . . . . . . . . . 0.308 0.7 OUTLIER -77.03 -40.38 30.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 N-CA-C 116.061 1.875 . . . . 57.55 116.061 -176.698 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' D' D ' 63' ' ' SER . . . . . 0.548 ' OG ' ' O ' ' D' ' 59' ' ' LEU . 0.3 OUTLIER -69.86 -34.33 73.46 Favored 'General case' 0 CA--C 1.511 -0.542 0 C-N-CA 119.367 -0.933 . . . . 56.97 109.437 -174.169 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' D' D ' 64' ' ' HIS . . . . . 0.415 ' O ' ' N ' ' D' ' 66' ' ' HIS . 73.2 m-70 -112.39 44.03 1.52 Allowed 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.599 -1.182 . . . . 70.01 111.187 -176.263 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 65' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -30.3 -28.93 0.0 OUTLIER 'General case' 0 CA--C 1.565 1.521 0 N-CA-C 116.24 1.941 . . . . 91.97 116.24 171.579 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 66' ' ' HIS . . . . . 0.519 ' CE1' ' NZ ' ' C' ' 39' ' ' LYS . 5.4 m80 . . . . . 0 N--CA 1.504 2.266 0 C-N-CA 127.561 2.344 . . . . 90.09 114.531 175.324 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.495 1.78 0 CA-C-O 120.998 0.428 . . . . 95.8 111.739 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.27 -23.0 32.87 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.677 -0.49 . . . . 90.22 109.677 -177.733 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -72.46 -24.41 61.19 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.791 -0.64 . . . . 96.53 112.264 179.002 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.0 m -94.06 -30.31 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 N-CA-C 113.773 1.027 . . . . 81.59 113.773 173.589 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.7 tp -65.44 -32.63 74.35 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.76 0.824 . . . . 76.99 110.05 169.267 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -72.73 -50.19 26.28 Favored 'General case' 0 C--O 1.252 1.208 0 CA-C-O 121.215 0.531 . . . . 71.43 110.379 172.073 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -61.93 -30.85 71.18 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 115.55 -0.75 . . . . 76.08 111.58 -173.284 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -82.35 -36.0 27.27 Favored 'General case' 0 C--O 1.236 0.37 0 O-C-N 123.688 0.617 . . . . 80.48 111.576 179.038 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.8 mt -59.95 -42.17 93.5 Favored 'General case' 0 CA--C 1.502 -0.871 0 O-C-N 124.141 0.9 . . . . 60.75 110.409 170.696 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -62.96 -32.28 73.57 Favored 'General case' 0 CA--C 1.504 -0.795 0 C-N-CA 118.348 -1.341 . . . . 59.63 110.908 176.237 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.27 -46.4 33.83 Favored 'General case' 0 C--O 1.211 -0.949 0 N-CA-C 108.214 -1.032 . . . . 73.39 108.214 -175.443 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' MSE . . . . . . . . . . . . . 1.5 mtm -57.21 -48.99 77.4 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 111.737 0.273 . . . . 99.43 111.737 176.25 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LEU . . . . . 0.425 ' O ' HG23 ' A' ' 18' ' ' VAL . 24.1 mt -53.25 -47.15 69.3 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 113.16 0.8 . . . . 49.25 113.16 176.997 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -65.97 -40.63 91.43 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 122.809 1.29 . . . . 55.34 111.961 -175.862 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -72.75 -44.01 62.17 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 108.593 -0.892 . . . . 81.04 108.593 -176.239 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -63.86 -36.91 85.46 Favored 'General case' 0 N--CA 1.452 -0.335 0 O-C-N 124.805 1.316 . . . . 50.14 114.436 179.052 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 14' ' ' LEU . 97.4 t -71.36 -40.64 73.43 Favored 'Isoleucine or valine' 0 C--O 1.251 1.14 0 C-N-CA 120.094 -0.642 . . . . 43.79 110.523 177.237 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.09 -43.38 98.96 Favored 'General case' 0 N--CA 1.483 1.213 0 O-C-N 124.057 0.848 . . . . 63.96 108.998 179.236 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.04 -50.12 64.94 Favored 'General case' 0 CA--C 1.507 -0.695 0 C-N-CA 124.115 0.966 . . . . 69.76 111.446 169.379 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.78 -44.34 86.18 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 120.678 -0.409 . . . . 38.2 110.291 -177.914 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.06 -53.08 62.34 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 114.218 1.192 . . . . 39.68 114.218 177.708 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.6 m -52.32 -44.87 65.35 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.266 -0.425 . . . . 52.05 110.245 175.005 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 28.4 mt -59.19 -48.66 80.79 Favored 'General case' 0 C--O 1.243 0.717 0 O-C-N 124.749 1.28 . . . . 37.77 112.546 179.284 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.3 mm -53.27 -40.53 39.66 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.847 0 CA-C-O 121.659 0.742 . . . . 41.47 109.636 173.791 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' HIS . . . . . 0.465 ' NE2' ' OD1' ' B' ' 15' ' ' ASP . 65.6 m170 -69.75 -42.9 73.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.169 -0.469 . . . . 40.6 110.299 -175.99 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -69.11 -42.97 75.39 Favored 'General case' 0 CA--C 1.498 -1.041 0 O-C-N 123.69 0.619 . . . . 66.27 112.149 179.139 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.7 mt -59.46 -43.39 90.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 N-CA-C 113.886 1.069 . . . . 42.13 113.886 177.59 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 35.2 tptt -50.0 -51.43 41.94 Favored 'General case' 0 CA--C 1.503 -0.852 0 O-C-N 123.15 0.282 . . . . 44.17 111.645 171.072 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ILE . . . . . 0.547 ' O ' ' HB ' ' A' ' 34' ' ' THR . 4.6 mm -59.43 -49.34 83.92 Favored 'Isoleucine or valine' 0 C--O 1.243 0.733 0 C-N-CA 119.948 -0.701 . . . . 43.5 110.343 -177.34 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -48.95 -34.26 12.56 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 115.666 1.728 . . . . 53.83 115.666 172.762 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -76.35 -51.8 11.18 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 117.83 0.286 . . . . 66.5 111.213 -179.921 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 75.5 mt -53.31 -37.19 28.07 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 N-CA-C 106.166 -1.79 . . . . 53.59 106.166 -179.85 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' THR . . . . . 0.547 ' HB ' ' O ' ' A' ' 30' ' ' ILE . 0.7 OUTLIER -89.89 -9.88 47.33 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 116.49 2.033 . . . . 55.78 116.49 -169.44 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.66 26.75 73.68 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 115.936 1.134 . . . . 51.68 115.936 -176.32 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 -63.54 131.91 49.59 Favored 'General case' 0 N--CA 1.441 -0.88 0 O-C-N 121.508 -0.995 . . . . 66.54 112.319 -179.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' MSE . . . . . . . . . . . . . 13.6 mtm -78.62 -26.01 45.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.027 -0.533 . . . . 107.44 111.12 -170.856 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -72.73 112.68 8.99 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 116.173 -0.467 . . . . 69.35 110.271 173.317 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -104.11 11.12 35.53 Favored 'General case' 0 C--O 1.214 -0.799 0 CA-C-N 115.693 -0.685 . . . . 68.38 109.807 -176.288 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -62.95 -22.64 66.94 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 115.928 1.825 . . . . 73.67 115.928 -171.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.5 mttp -75.8 -30.3 59.02 Favored 'General case' 0 N--CA 1.435 -1.193 0 N-CA-C 108.938 -0.764 . . . . 54.43 108.938 -178.049 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.4 tp -66.57 -43.37 85.16 Favored 'General case' 0 CA--C 1.566 1.59 0 N-CA-C 112.908 0.707 . . . . 47.74 112.908 173.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.88 -33.04 58.21 Favored Glycine 0 C--N 1.335 0.523 0 C-N-CA 120.559 -0.829 . . . . 48.6 111.678 179.148 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.5 tttm -61.37 -40.93 96.11 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 119.879 -0.728 . . . . 54.71 111.825 169.461 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.89 -38.43 78.85 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 111.95 0.352 . . . . 43.11 111.95 173.078 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -68.52 -42.58 78.33 Favored 'General case' 0 C--O 1.2 -1.53 0 N-CA-C 107.498 -1.297 . . . . 52.93 107.498 -178.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -61.94 -39.36 91.82 Favored 'General case' 0 CA--C 1.513 -0.456 0 C-N-CA 124.599 1.16 . . . . 49.88 109.45 177.768 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -64.23 -45.42 88.3 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-O 117.205 -1.379 . . . . 42.58 112.418 -177.739 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' VAL . . . . . 0.732 HG11 HG22 ' B' ' 52' ' ' ILE . 0.0 OUTLIER -59.05 -34.64 53.76 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 C-N-CA 118.988 -1.085 . . . . 46.45 113.025 176.733 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -76.3 -28.7 57.08 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-O 122.073 0.939 . . . . 57.26 110.293 -172.445 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.17 -38.39 36.01 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 113.541 -1.663 . . . . 51.23 109.796 175.289 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.0 mt -59.81 -45.0 95.26 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.311 0 O-C-N 121.768 -0.582 . . . . 42.02 111.937 170.395 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -55.75 -42.64 75.74 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.267 1.427 . . . . 60.28 112.628 175.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ALA . . . . . 0.619 ' O ' ' HG2' ' A' ' 58' ' ' GLN . . . -77.55 -35.91 52.77 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.408 -0.808 . . . . 50.11 110.328 -175.852 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -62.28 -49.8 74.22 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 123.231 0.612 . . . . 57.84 112.337 174.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 25.2 tp -61.72 -37.66 85.0 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.962 -0.563 . . . . 48.35 111.799 178.982 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -62.41 -46.79 86.98 Favored 'General case' 0 CA--C 1.55 0.957 0 O-C-N 123.377 0.423 . . . . 54.62 109.916 176.281 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' GLN . . . . . 0.619 ' HG2' ' O ' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -58.39 -46.66 85.94 Favored 'General case' 0 CA--C 1.496 -1.097 0 N-CA-C 110.131 -0.322 . . . . 72.53 110.131 174.872 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 59' ' ' LEU . . . . . 0.414 ' O ' ' HB2' ' A' ' 63' ' ' SER . 48.5 tp -59.89 -34.72 73.55 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 123.461 0.475 . . . . 56.08 110.006 -178.167 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ILE . . . . . 0.475 HG12 ' HG ' ' B' ' 42' ' ' LEU . 24.3 mt -68.44 -46.81 79.83 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 C-N-CA 119.518 -0.873 . . . . 51.81 112.048 178.272 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.61 -29.53 70.54 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 124.876 1.27 . . . . 63.59 113.034 -178.713 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.0 t -88.08 -35.39 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 124.945 1.298 . . . . 68.86 111.157 179.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' A' ' 59' ' ' LEU . 0.6 OUTLIER -62.19 -28.6 69.78 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 112.991 0.737 . . . . 79.37 112.991 -178.393 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -139.19 123.54 18.18 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 108.731 -0.84 . . . . 89.23 108.731 -176.524 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 112.291 0.478 . . . . 99.89 112.291 172.367 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' LEU . . . . . 0.908 HD11 ' OE2' ' B' ' 9' ' ' GLU . 10.6 tp . . . . . 0 N--CA 1.477 0.907 0 CA-C-O 122.048 0.927 . . . . 86.76 109.663 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -55.98 -43.3 77.46 Favored 'General case' 0 C--O 1.253 1.274 0 CA-C-N 115.195 -0.912 . . . . 64.1 111.796 172.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -51.15 -51.54 52.66 Favored 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 107.739 -1.208 . . . . 77.21 107.739 176.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' GLU . . . . . 0.908 ' OE2' HD11 ' B' ' 6' ' ' LEU . 5.1 mt-10 -70.35 -38.8 74.9 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 113.329 0.863 . . . . 83.57 113.329 -174.155 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 10' ' ' LEU . . . . . 0.443 HD11 ' HB3' ' B' ' 58' ' ' GLN . 5.4 mt -57.5 -48.25 79.75 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 109.079 -0.712 . . . . 51.96 109.079 178.729 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -63.02 -40.94 99.24 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 123.971 0.794 . . . . 43.28 108.986 -179.376 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -62.33 -42.27 99.24 Favored 'General case' 0 C--N 1.314 -0.963 0 C-N-CA 118.226 -1.39 . . . . 67.91 112.865 -179.948 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' MSE . . . . . . . . . . . . . 37.1 mtm -69.63 -47.09 64.63 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.119 -0.491 . . . . 95.33 111.232 -177.819 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' LEU . . . . . 0.474 ' O ' HG23 ' B' ' 18' ' ' VAL . 8.4 mt -46.03 -52.86 11.14 Favored 'General case' 0 C--N 1.345 0.409 0 C-N-CA 125.008 1.323 . . . . 46.48 111.864 173.474 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 15' ' ' ASP . . . . . 0.465 ' OD1' ' NE2' ' A' ' 26' ' ' HIS . 25.4 t70 -65.93 -45.79 80.54 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 109.299 -0.63 . . . . 58.36 109.299 -176.258 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 59.6 tt0 -62.22 -39.46 92.87 Favored 'General case' 0 CA--C 1.563 1.463 0 N-CA-C 112.281 0.474 . . . . 63.82 112.281 176.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -72.45 -43.03 64.33 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.043 -1.036 . . . . 49.15 110.781 -177.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' VAL . . . . . 0.474 HG23 ' O ' ' B' ' 14' ' ' LEU . 48.7 t -61.15 -40.38 85.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 N-CA-C 113.136 0.791 . . . . 43.84 113.136 176.461 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 19' ' ' ARG . . . . . 0.449 ' NH2' ' HE2' ' A' ' 26' ' ' HIS . 66.8 mtt-85 -60.29 -54.56 44.31 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-O 121.822 0.82 . . . . 72.77 108.811 176.156 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -50.89 -34.97 30.51 Favored 'General case' 0 N--CA 1.424 -1.735 0 CA-C-N 115.078 -0.965 . . . . 76.36 110.807 -179.685 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' LEU . . . . . 0.46 ' O ' HG12 ' B' ' 25' ' ' ILE . 0.0 OUTLIER -70.29 -38.15 74.97 Favored 'General case' 0 CA--C 1.509 -0.616 0 C-N-CA 120.259 -0.576 . . . . 47.58 110.248 -177.266 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -52.02 67.56 Favored 'General case' 0 CA--C 1.511 -0.535 0 O-C-N 123.845 0.716 . . . . 50.73 109.434 176.64 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 6.0 m -52.34 -44.44 65.17 Favored 'General case' 0 N--CA 1.435 -1.198 0 O-C-N 124.426 1.079 . . . . 60.98 110.252 177.187 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.64 -48.83 68.18 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 115.007 -0.997 . . . . 51.97 109.837 -174.963 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ILE . . . . . 0.46 HG12 ' O ' ' B' ' 21' ' ' LEU . 32.7 mm -50.24 -42.66 20.58 Favored 'Isoleucine or valine' 0 C--O 1.254 1.293 0 N-CA-C 112.563 0.579 . . . . 52.2 112.563 172.703 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 68.2 m170 -63.74 -54.34 36.96 Favored 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.515 0.51 . . . . 64.08 109.97 -178.555 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' GLU . . . . . 0.79 ' OE1' ' HE2' ' B' ' 41' ' ' LYS . 3.2 mt-10 -48.99 -47.76 44.04 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 125.224 1.41 . . . . 75.13 111.248 173.556 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 52.9 mt -63.73 -43.47 98.02 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.218 0 C-N-CA 118.929 -1.109 . . . . 56.92 111.239 178.906 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LYS . . . . . 0.426 ' O ' HG23 ' B' ' 33' ' ' ILE . 5.6 tttt -51.29 -57.83 7.81 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.151 0.887 . . . . 71.82 112.072 179.157 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 21.6 mm -49.59 -47.33 20.97 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.116 0 N-CA-C 116.605 2.076 . . . . 68.14 116.605 169.44 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -52.86 -44.65 66.96 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 113.933 1.086 . . . . 76.04 113.933 176.075 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -56.61 -49.21 75.62 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.167 -0.679 . . . . 81.21 109.167 172.257 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ILE . . . . . 0.426 HG23 ' O ' ' B' ' 29' ' ' LYS . 0.5 OUTLIER -80.3 -18.68 12.22 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.49 0 N-CA-C 113.603 0.964 . . . . 86.7 113.603 -168.341 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 4.4 p -84.66 13.02 6.12 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 106.813 -1.551 . . . . 85.68 106.813 170.845 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 41.99 82.25 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 N-CA-C 109.26 -1.536 . . . . 85.56 109.26 -166.677 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -138.3 163.18 32.47 Favored 'General case' 0 C--O 1.242 0.693 0 N-CA-C 113.497 0.925 . . . . 90.55 113.497 -172.579 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' MSE . . . . . . . . . . . . . 0.4 OUTLIER -77.02 99.67 5.38 Favored 'General case' 0 C--O 1.249 1.05 0 CA-C-O 122.166 0.984 . . . . 144.35 110.129 176.639 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -99.3 -4.57 31.51 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 114.09 -1.413 . . . . 84.9 108.332 -177.842 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -51.25 -57.08 9.78 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.897 0.703 . . . . 65.78 112.897 -174.141 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 16.9 tm0? -58.6 -34.08 70.71 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 119.308 -0.957 . . . . 70.36 110.561 -178.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' LYS . . . . . 0.79 ' HE2' ' OE1' ' B' ' 27' ' ' GLU . 17.7 mttt -76.36 -35.89 58.45 Favored 'General case' 0 N--CA 1.433 -1.293 0 CA-C-N 116.4 -0.363 . . . . 55.66 110.322 -178.19 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 42' ' ' LEU . . . . . 0.475 ' HG ' HG12 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -58.43 -47.45 83.91 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 119.5 -0.88 . . . . 50.29 110.334 172.181 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.9 -43.75 97.07 Favored Glycine 0 C--N 1.347 1.181 0 C-N-CA 125.123 1.344 . . . . 44.01 113.124 -178.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 72.1 tttt -57.28 -46.92 82.65 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 115.333 -0.433 . . . . 46.94 111.111 171.096 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.52 -43.93 80.28 Favored 'General case' 0 C--O 1.252 1.228 0 CA-C-N 118.296 0.498 . . . . 46.6 111.521 172.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -52.0 -52.02 53.44 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 120.569 -0.452 . . . . 48.1 111.112 178.774 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -70.29 -29.54 66.33 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-O 121.292 0.567 . . . . 38.61 110.57 -177.488 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -63.54 -49.44 73.47 Favored 'General case' 0 C--N 1.307 -1.241 0 C-N-CA 119.638 -0.825 . . . . 55.36 112.359 179.274 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 46.9 t -59.31 -39.1 78.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 113.853 1.057 . . . . 39.28 113.853 172.469 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -60.75 -44.02 97.23 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 119.133 -1.027 . . . . 37.83 109.507 175.68 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -64.39 -38.9 92.65 Favored 'General case' 0 N--CA 1.445 -0.715 0 O-C-N 121.912 -0.492 . . . . 44.43 110.883 179.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' ILE . . . . . 0.732 HG22 HG11 ' A' ' 49' ' ' VAL . 11.7 mt -62.66 -44.26 99.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 C-N-CA 119.721 -0.791 . . . . 37.61 110.228 175.257 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -39.36 76.04 Favored 'General case' 0 C--O 1.214 -0.808 0 N-CA-C 109.035 -0.728 . . . . 83.59 109.035 179.776 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.47 -43.85 63.12 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 120.281 -0.567 . . . . 34.15 109.777 -173.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -59.49 -39.45 83.8 Favored 'General case' 0 C--O 1.209 -1.069 0 N-CA-C 116.748 2.129 . . . . 45.89 116.748 170.298 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' LEU . . . . . 0.482 HD23 ' CG2' ' A' ' 49' ' ' VAL . 0.0 OUTLIER -69.08 -29.47 67.58 Favored 'General case' 0 C--O 1.247 0.955 0 O-C-N 121.252 -0.905 . . . . 46.44 111.219 175.29 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -70.73 -45.73 64.34 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 123.846 0.716 . . . . 45.65 110.998 177.28 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' GLN . . . . . 0.443 ' HB3' HD11 ' B' ' 10' ' ' LEU . 14.3 mm100 -58.36 -40.38 82.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.671 -0.695 . . . . 58.1 111.454 168.796 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 14.9 tp -60.72 -45.02 95.86 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.105 -0.638 . . . . 48.67 110.675 177.079 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 55.7 mt -58.75 -37.81 68.29 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.705 0 N-CA-C 113.514 0.931 . . . . 44.56 113.514 173.82 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.26 -60.27 2.95 Favored 'General case' 0 C--O 1.203 -1.354 0 CA-C-N 119.071 0.85 . . . . 69.68 109.948 179.101 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 7.0 t -39.41 -49.75 0.51 Allowed 'Isoleucine or valine' 0 C--O 1.207 -1.173 0 N-CA-C 115.028 1.492 . . . . 53.09 115.028 168.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 19.5 m -66.89 -4.37 9.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 121.139 -0.975 . . . . 68.83 111.709 -176.956 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -117.36 23.05 12.06 Favored 'General case' 0 N--CA 1.438 -1.075 0 C-N-CA 119.552 -0.859 . . . . 82.06 111.349 -168.728 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' HIS . . . . . . . . . . . . . 21.3 t60 60.88 51.04 4.86 Favored 'General case' 0 C--O 1.251 1.134 0 N-CA-C 108.26 -1.015 . . . . 98.63 108.26 -177.35 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.241 0.626 0 CA-C-N 115.519 -0.764 . . . . 96.48 110.673 -174.954 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 7' ' ' GLU . . . . . 0.995 ' HA ' ' OE1' ' C' ' 7' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.757 0 CA-C-O 121.615 0.721 . . . . 90.0 112.771 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 8' ' ' LYS . . . . . 0.54 ' HE3' ' HG3' ' C' ' 9' ' ' GLU . 0.0 OUTLIER -61.58 -5.41 1.83 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 114.331 -1.304 . . . . 90.8 111.492 168.314 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 9' ' ' GLU . . . . . 0.54 ' HG3' ' HE3' ' C' ' 8' ' ' LYS . 2.2 mp0 -80.17 9.65 5.38 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 113.218 0.822 . . . . 96.8 113.218 179.26 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 10' ' ' LEU . . . . . 0.606 ' O ' ' HB2' ' C' ' 13' ' ' MSE . 3.5 mt -97.33 -22.4 16.66 Favored 'General case' 0 C--O 1.24 0.603 0 N-CA-C 109.22 -0.659 . . . . 88.65 109.22 170.4 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 11' ' ' PHE . . . . . 0.704 ' HD1' ' HD2' ' D' ' 29' ' ' LYS . 1.4 m-85 -82.12 -36.92 27.0 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.474 -0.936 . . . . 82.03 108.474 171.869 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 12' ' ' GLU . . . . . 0.44 ' HB2' ' NZ ' ' C' ' 8' ' ' LYS . 4.8 tp10 -59.47 -36.07 75.29 Favored 'General case' 0 C--O 1.242 0.661 0 N-CA-C 107.567 -1.271 . . . . 91.04 107.567 172.679 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 13' ' ' MSE . . . . . 0.606 ' HB2' ' O ' ' C' ' 10' ' ' LEU . 5.6 mmm -55.3 -71.27 0.09 Allowed 'General case' 0 C--O 1.243 0.745 0 CA-C-N 114.832 -1.076 . . . . 115.78 110.739 169.982 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 14' ' ' LEU . . . . . 0.419 HD21 HD22 ' C' ' 56' ' ' LEU . 8.2 mt -47.93 -54.78 11.65 Favored 'General case' 0 CA--C 1.499 -1.006 0 C-N-CA 124.223 1.009 . . . . 75.8 111.211 -174.852 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -52.66 -54.59 31.34 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.363 -0.835 . . . . 82.64 112.54 -173.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -59.63 -37.29 78.26 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 116.463 2.023 . . . . 91.41 116.463 177.172 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -73.16 -38.97 66.02 Favored 'General case' 0 C--O 1.241 0.637 0 C-N-CA 123.049 0.539 . . . . 58.54 111.667 -174.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 40.7 t -69.19 -37.88 77.02 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.758 0 CA-C-N 114.94 -1.027 . . . . 59.29 110.121 175.378 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 14.5 mtt-85 -59.08 -45.52 90.61 Favored 'General case' 0 C--O 1.248 0.994 0 N-CA-C 112.534 0.568 . . . . 78.04 112.534 169.654 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 29.5 tp10 -63.13 -39.22 94.04 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 108.531 -0.915 . . . . 65.72 108.531 -177.673 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 21' ' ' LEU . . . . . 0.466 ' O ' HG12 ' C' ' 25' ' ' ILE . 0.0 OUTLIER -59.15 -50.99 71.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.069 -0.969 . . . . 50.01 108.705 178.711 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 22' ' ' LEU . . . . . 0.459 ' HA ' HD23 ' C' ' 22' ' ' LEU . 0.7 OUTLIER -51.1 -53.27 35.72 Favored 'General case' 0 C--O 1.251 1.172 0 O-C-N 123.553 0.533 . . . . 48.54 112.052 178.357 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 20.2 m -53.27 -39.73 64.12 Favored 'General case' 0 CA--C 1.511 -0.526 0 O-C-N 124.353 1.033 . . . . 49.72 112.742 176.276 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 24' ' ' LEU . . . . . . . . . . . . . 75.7 mt -66.9 -46.79 73.8 Favored 'General case' 0 CA--C 1.512 -0.499 0 C-N-CA 119.59 -0.844 . . . . 43.43 110.076 -178.253 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 25' ' ' ILE . . . . . 0.466 HG12 ' O ' ' C' ' 21' ' ' LEU . 2.5 mm -55.79 -41.52 66.4 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.209 0 N-CA-C 107.307 -1.368 . . . . 45.94 107.307 179.6 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 26' ' ' HIS . . . . . 0.448 ' CE1' HD22 ' C' ' 22' ' ' LEU . 63.2 m170 -64.12 -48.56 75.61 Favored 'General case' 0 C--O 1.25 1.129 0 N-CA-C 112.896 0.702 . . . . 46.64 112.896 -177.789 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -64.58 -42.23 95.74 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 116.042 -0.526 . . . . 67.41 111.95 177.518 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 28' ' ' ILE . . . . . . . . . . . . . 59.6 mt -63.52 -37.78 80.48 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 N-CA-C 108.241 -1.022 . . . . 40.35 108.241 -176.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 10.3 tptt -59.85 -52.99 63.07 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.599 0.714 . . . . 42.11 110.915 176.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 39.5 mm -51.77 -45.53 38.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 C-N-CA 118.866 -1.133 . . . . 47.1 113.797 173.933 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 31' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -57.24 -40.18 77.08 Favored 'General case' 0 C--O 1.248 0.984 0 CA-C-N 118.236 0.471 . . . . 52.99 110.614 178.053 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -63.19 -52.67 61.41 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 118.663 -1.215 . . . . 54.21 109.809 -177.46 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 29.3 mt -54.78 -43.48 67.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 119.014 -0.517 . . . . 53.84 111.024 177.475 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 34' ' ' THR . . . . . . . . . . . . . 71.8 p -77.38 -18.61 57.18 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 115.703 1.742 . . . . 51.73 115.703 -179.891 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.35 5.61 87.68 Favored Glycine 0 CA--C 1.534 1.279 0 N-CA-C 115.943 1.137 . . . . 60.69 115.943 -172.332 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 36' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -73.31 160.16 32.27 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.867 0.867 . . . . 75.61 112.571 170.618 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 37' ' ' MSE . . . . . . . . . . . . . 12.3 mtp -73.91 115.24 13.13 Favored 'General case' 0 C--O 1.25 1.122 0 N-CA-C 116.877 2.177 . . . . 123.51 116.877 -165.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -99.15 -12.7 20.23 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 114.274 -1.33 . . . . 62.58 113.354 -171.795 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -52.64 64.55 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 114.706 1.373 . . . . 70.87 114.706 -164.508 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -56.69 -52.32 65.38 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 109.549 -0.537 . . . . 57.4 109.549 179.612 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 6.5 mtmm -60.4 -40.67 91.78 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 112.796 0.665 . . . . 64.11 112.796 177.594 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 12.3 tp -57.84 -45.58 86.03 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 119.504 -0.878 . . . . 47.32 112.565 175.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.29 -39.28 95.88 Favored Glycine 0 C--O 1.251 1.204 0 N-CA-C 109.382 -1.487 . . . . 42.04 109.382 178.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -60.69 -46.23 91.15 Favored 'General case' 0 N--CA 1.438 -1.066 0 C-N-CA 119.415 -0.914 . . . . 51.16 110.733 178.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.88 -43.65 81.49 Favored 'General case' 0 C--O 1.264 1.843 0 C-N-CA 124.602 1.161 . . . . 41.8 109.886 177.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 46' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -50.87 -53.02 36.01 Favored 'General case' 0 C--N 1.357 0.929 0 O-C-N 124.343 1.027 . . . . 52.84 108.431 175.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -67.26 -33.15 74.72 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 112.878 0.695 . . . . 40.29 112.878 -178.458 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -55.71 -46.16 77.74 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 121.439 -0.788 . . . . 56.34 111.479 173.136 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 50.8 t -58.71 -58.77 5.29 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 CA-C-N 116.069 -0.514 . . . . 56.42 110.905 178.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -48.48 -45.11 36.47 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 112.534 0.568 . . . . 57.78 112.534 174.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 51' ' ' LYS . . . . . 0.731 ' O ' ' HG2' ' C' ' 55' ' ' GLU . 14.8 tttt -56.75 -34.86 67.96 Favored 'General case' 0 C--O 1.213 -0.832 0 C-N-CA 120.736 -0.385 . . . . 64.95 110.787 176.782 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 52' ' ' ILE . . . . . 0.521 ' HA ' ' HG3' ' C' ' 55' ' ' GLU . 6.7 mt -76.17 -38.03 33.57 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.992 0 N-CA-C 107.603 -1.258 . . . . 59.48 107.603 -174.642 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -59.07 -55.28 37.04 Favored 'General case' 0 N--CA 1.439 -0.99 0 N-CA-C 105.466 -2.05 . . . . 69.65 105.466 178.125 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 54' ' ' ALA . . . . . . . . . . . . . . . -46.81 -53.41 12.04 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 114.919 -1.037 . . . . 70.32 111.248 -176.859 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 55' ' ' GLU . . . . . 0.731 ' HG2' ' O ' ' C' ' 51' ' ' LYS . 0.0 OUTLIER -56.89 -48.13 78.9 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 123.009 0.193 . . . . 77.51 111.346 176.352 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 56' ' ' LEU . . . . . 0.419 HD22 HD21 ' C' ' 14' ' ' LEU . 0.0 OUTLIER -54.18 -55.81 24.32 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 122.041 -0.412 . . . . 77.19 110.48 178.328 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 57' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -54.21 -48.97 70.45 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 124.679 1.192 . . . . 87.97 112.561 -178.02 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.93 -64.67 0.74 Allowed 'General case' 0 C--O 1.237 0.398 0 N-CA-C 108.12 -1.067 . . . . 88.05 108.12 172.13 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 59' ' ' LEU . . . . . 0.679 HD21 ' CE2' ' C' ' 11' ' ' PHE . 0.4 OUTLIER -72.11 1.97 6.58 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 116.093 1.886 . . . . 84.81 116.093 -173.013 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -77.49 -48.32 24.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 N-CA-C 108.594 -0.891 . . . . 82.49 108.594 163.077 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 61' ' ' LYS . . . . . 0.444 ' HA ' ' NE2' ' C' ' 64' ' ' HIS . 0.6 OUTLIER -64.09 -40.43 96.23 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 114.62 1.341 . . . . 85.44 114.62 -178.538 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -77.59 3.95 1.4 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.321 0 N-CA-C 115.182 1.549 . . . . 85.22 115.182 172.371 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.78 -44.65 6.99 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 119.515 -0.874 . . . . 94.19 111.478 177.633 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 64' ' ' HIS . . . . . 0.444 ' NE2' ' HA ' ' C' ' 61' ' ' LYS . 1.9 p-80 . . . . . 0 CA--C 1.536 0.437 0 CA-C-O 121.447 0.641 . . . . 108.29 111.015 174.609 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 78.2 p . . . . . 0 N--CA 1.507 2.413 0 N-CA-C 113.757 1.021 . . . . 93.31 113.757 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 1.8 mmtm -78.16 -23.28 47.75 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 108.106 -1.072 . . . . 89.63 108.106 168.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -47.85 -50.58 25.89 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.631 1.973 . . . . 93.76 111.55 167.949 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 23.3 m -81.54 -35.91 14.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.02 -0.733 . . . . 66.86 109.02 -175.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 35.8 tp -56.05 -48.89 75.17 Favored 'General case' 0 CA--C 1.572 1.809 0 C-N-CA 119.531 -0.868 . . . . 59.61 111.616 171.027 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -59.98 -41.19 91.45 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 109.721 -0.474 . . . . 50.39 109.721 178.754 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 8' ' ' LYS . . . . . 0.447 ' HD3' ' OE2' ' D' ' 12' ' ' GLU . 1.8 tmtt? -64.14 -44.58 91.71 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-O 121.807 0.813 . . . . 70.14 111.089 -177.179 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 9' ' ' GLU . . . . . 0.537 ' OE2' ' HE3' ' D' ' 13' ' ' MSE . 3.6 tm-20 -64.63 -39.84 94.42 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.521 -1.218 . . . . 87.71 111.019 179.231 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 10' ' ' LEU . . . . . . . . . . . . . 17.0 mt -67.31 -42.97 82.79 Favored 'General case' 0 CA--C 1.486 -1.491 0 N-CA-C 109.517 -0.549 . . . . 45.64 109.517 -178.399 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -55.24 -49.32 72.3 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 123.951 0.782 . . . . 48.87 110.878 175.946 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 12' ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' D' ' 16' ' ' GLU . 37.2 mt-10 -65.47 -45.05 85.19 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 113.681 0.993 . . . . 77.56 113.681 -178.151 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 13' ' ' MSE . . . . . 0.537 ' HE3' ' OE2' ' D' ' 9' ' ' GLU . 34.8 ttm -57.97 -42.54 85.22 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 116.033 -0.53 . . . . 98.85 112.101 175.449 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 14' ' ' LEU . . . . . 0.435 ' O ' HG23 ' D' ' 18' ' ' VAL . 26.9 tp -64.99 -42.91 94.11 Favored 'General case' 0 C--O 1.257 1.489 0 CA-C-N 115.619 -0.719 . . . . 48.7 111.602 178.705 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -57.57 -46.66 83.69 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 116.262 1.949 . . . . 56.97 116.262 171.356 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 16' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' D' ' 12' ' ' GLU . 1.7 pt-20 -65.56 -46.4 79.64 Favored 'General case' 0 CA--C 1.508 -0.673 0 C-N-CA 117.339 -1.744 . . . . 65.42 111.429 -178.764 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -50.41 -45.31 55.59 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 115.576 1.695 . . . . 57.51 115.576 173.587 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 18' ' ' VAL . . . . . 0.435 HG23 ' O ' ' D' ' 14' ' ' LEU . 48.0 t -67.44 -44.44 86.85 Favored 'Isoleucine or valine' 0 C--O 1.252 1.189 0 N-CA-C 113.03 0.752 . . . . 53.37 113.03 175.135 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.1 -50.69 68.57 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-O 121.596 0.713 . . . . 70.1 110.812 171.51 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -47.71 -69.7 0.12 Allowed 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.198 -0.91 . . . . 78.68 110.303 173.901 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 21' ' ' LEU . . . . . . . . . . . . . 14.1 tp -45.11 -43.66 9.86 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 124.242 1.017 . . . . 67.8 111.253 178.785 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.62 -27.52 69.27 Favored 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 113.861 1.06 . . . . 78.09 113.861 176.81 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 58.3 m -71.68 -48.83 44.86 Favored 'General case' 0 C--O 1.247 0.948 0 CA-C-N 115.653 -0.703 . . . . 77.33 109.135 172.579 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 24' ' ' LEU . . . . . 0.753 ' O ' HG12 ' D' ' 28' ' ' ILE . 7.4 mt -49.13 -50.08 39.08 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.521 0.513 . . . . 76.34 110.438 -179.929 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 31.7 mm -54.77 -48.78 72.71 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 O-C-N 123.314 0.384 . . . . 81.9 111.46 -177.314 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 26' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -68.57 -47.54 66.53 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.996 0.739 . . . . 93.15 112.996 -174.32 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 27' ' ' GLU . . . . . 0.575 ' OE1' HD13 ' D' ' 28' ' ' ILE . 0.0 OUTLIER -45.35 -53.43 8.56 Favored 'General case' 0 CA--C 1.557 1.248 0 CA-C-N 114.868 -1.06 . . . . 91.88 110.848 162.317 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' D' D ' 28' ' ' ILE . . . . . 0.753 HG12 ' O ' ' D' ' 24' ' ' LEU . 27.8 mm -63.22 -36.21 75.09 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 N-CA-C 113.124 0.787 . . . . 86.03 113.124 179.874 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 29' ' ' LYS . . . . . 0.704 ' HD2' ' HD1' ' C' ' 11' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.608 0 O-C-N 124.179 0.924 . . . . 87.59 113.424 179.746 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.562 0 N-CA-C 110.058 -0.349 . . . . 82.77 110.058 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.87 -36.81 75.24 Favored 'General case' 0 C--O 1.256 1.434 0 C-N-CA 125.956 1.703 . . . . 89.07 111.703 -179.74 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 41' ' ' LYS . . . . . 0.509 ' HB3' HD11 ' D' ' 28' ' ' ILE . 19.8 mttt -89.43 -28.11 19.95 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 115.36 1.615 . . . . 77.66 115.36 -171.06 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 42' ' ' LEU . . . . . 0.578 HD21 HD23 ' C' ' 59' ' ' LEU . 0.2 OUTLIER -60.87 -47.99 83.85 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 109.468 -0.567 . . . . 79.28 109.468 168.048 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' D' D ' 43' ' ' GLY . . . . . 0.406 ' O ' ' CE1' ' D' ' 47' ' ' PHE . . . -58.63 -32.69 69.78 Favored Glycine 0 C--O 1.242 0.605 0 N-CA-C 110.782 -0.927 . . . . 69.89 110.782 175.547 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 44' ' ' LYS . . . . . 0.547 ' HA ' ' CD1' ' D' ' 47' ' ' PHE . 2.2 tttp -72.41 -47.28 50.41 Favored 'General case' 0 C--O 1.261 1.71 0 CA-C-O 121.885 0.85 . . . . 73.03 111.825 -175.332 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -42.79 -40.5 2.87 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 113.787 -1.551 . . . . 69.55 110.965 167.101 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 46' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -70.11 -35.05 73.84 Favored 'General case' 0 C--O 1.214 -0.779 0 C-N-CA 119.802 -0.759 . . . . 66.46 112.957 -175.174 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 47' ' ' PHE . . . . . 0.547 ' CD1' ' HA ' ' D' ' 44' ' ' LYS . 23.9 m-85 -72.98 -31.79 64.77 Favored 'General case' 0 C--O 1.246 0.9 0 CA-C-O 122.079 0.942 . . . . 77.7 111.077 -176.973 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 48' ' ' GLN . . . . . . . . . . . . . 37.7 tp60 -61.3 -58.13 9.53 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-N 112.544 -2.116 . . . . 74.98 108.102 178.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 50.2 t -51.08 -34.83 14.52 Favored 'Isoleucine or valine' 0 C--O 1.246 0.915 0 C-N-CA 124.295 1.038 . . . . 65.3 113.218 175.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.59 -31.84 70.23 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.046 -0.724 . . . . 81.56 109.046 -178.192 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 51' ' ' LYS . . . . . . . . . . . . . 8.4 tptm -74.29 -47.95 31.59 Favored 'General case' 0 C--O 1.261 1.704 0 CA-C-O 121.798 0.809 . . . . 63.32 109.63 177.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 52' ' ' ILE . . . . . . . . . . . . . 66.2 mt -50.26 -50.01 21.68 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 CA-C-N 114.463 -1.244 . . . . 49.91 109.199 172.324 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -49.94 -46.59 52.32 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.59 0.959 . . . . 67.06 113.59 175.105 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.04 -32.74 63.45 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 117.886 -1.526 . . . . 50.32 115.048 -177.888 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 55' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -62.94 -42.66 99.88 Favored 'General case' 0 C--O 1.265 1.877 0 N-CA-C 113.206 0.817 . . . . 64.23 113.206 173.041 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 12.6 tp -61.24 -49.91 75.19 Favored 'General case' 0 CA--C 1.494 -1.188 0 N-CA-C 108.142 -1.059 . . . . 47.43 108.142 179.063 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -51.08 -54.81 21.53 Favored 'General case' 0 CA--C 1.503 -0.857 0 O-C-N 124.402 1.064 . . . . 69.6 109.978 178.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 58' ' ' GLN . . . . . 0.459 ' O ' HG13 ' D' ' 62' ' ' VAL . 14.6 tt0 -57.45 -44.43 84.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.365 -0.834 . . . . 67.25 112.606 178.594 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 59' ' ' LEU . . . . . 0.533 ' O ' ' OG ' ' D' ' 63' ' ' SER . 20.2 tp -60.19 -40.87 91.56 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 120.706 -0.398 . . . . 44.91 111.783 179.042 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 60' ' ' ILE . . . . . . . . . . . . . 21.8 mt -59.69 -48.18 88.41 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 N-CA-C 109.522 -0.547 . . . . 48.32 109.522 176.358 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.32 -47.14 76.1 Favored 'General case' 0 C--O 1.253 1.278 0 CA-C-N 116.304 -0.407 . . . . 79.32 111.398 179.424 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 62' ' ' VAL . . . . . 0.459 HG13 ' O ' ' D' ' 58' ' ' GLN 0.308 0.7 OUTLIER -77.03 -40.38 30.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 N-CA-C 116.061 1.875 . . . . 57.55 116.061 -176.698 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' D' D ' 63' ' ' SER . . . . . 0.533 ' OG ' ' O ' ' D' ' 59' ' ' LEU . 0.3 OUTLIER -69.86 -34.33 73.46 Favored 'General case' 0 CA--C 1.511 -0.542 0 C-N-CA 119.367 -0.933 . . . . 56.97 109.437 -174.169 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' D' D ' 64' ' ' HIS . . . . . 0.415 ' O ' ' N ' ' D' ' 66' ' ' HIS . 73.2 m-70 -112.39 44.03 1.52 Allowed 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.599 -1.182 . . . . 70.01 111.187 -176.263 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 65' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -30.3 -28.93 0.0 OUTLIER 'General case' 0 CA--C 1.565 1.521 0 N-CA-C 116.24 1.941 . . . . 91.97 116.24 171.579 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 66' ' ' HIS . . . . . 0.49 ' CD2' ' O ' ' A' ' 70' ' ' HOH . 17.8 m-70 . . . . . 0 N--CA 1.504 2.266 0 C-N-CA 127.561 2.344 . . . . 90.09 114.531 175.324 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' HOH . . . . . 0.49 ' O ' ' CD2' ' D' ' 66' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.495 1.78 0 CA-C-O 120.998 0.428 . . . . 95.799999999999997 111.739 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.27 -23.0 32.87 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.677 -0.49 . . . . 90.219999999999999 109.677 -177.733 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -72.46 -24.41 61.19 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.791 -0.64 . . . . 96.530000000000001 112.264 179.002 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.0 m -94.06 -30.31 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 N-CA-C 113.773 1.027 . . . . 81.590000000000003 113.773 173.589 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.7 tp -65.44 -32.63 74.35 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.76 0.824 . . . . 76.989999999999995 110.05 169.267 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -72.73 -50.19 26.28 Favored 'General case' 0 C--O 1.252 1.208 0 CA-C-O 121.215 0.531 . . . . 71.430000000000007 110.379 172.073 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -61.93 -30.85 71.18 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 115.55 -0.75 . . . . 76.079999999999998 111.58 -173.284 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -82.35 -36.0 27.27 Favored 'General case' 0 C--O 1.236 0.37 0 O-C-N 123.688 0.617 . . . . 80.480000000000004 111.576 179.038 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.8 mt -59.95 -42.17 93.5 Favored 'General case' 0 CA--C 1.502 -0.871 0 O-C-N 124.141 0.9 . . . . 60.75 110.409 170.696 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -62.96 -32.28 73.57 Favored 'General case' 0 CA--C 1.504 -0.795 0 C-N-CA 118.348 -1.341 . . . . 59.630000000000003 110.908 176.237 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.27 -46.4 33.83 Favored 'General case' 0 C--O 1.211 -0.949 0 N-CA-C 108.214 -1.032 . . . . 73.390000000000001 108.214 -175.443 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' MSE . . . . . . . . . . . . . 1.5 mtm -57.21 -48.99 77.4 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 111.737 0.273 . . . . 99.430000000000007 111.737 176.25 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.425 ' O ' HG23 ' A' ' 18' ' ' VAL . 24.1 mt -53.25 -47.15 69.3 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 113.16 0.8 . . . . 49.25 113.16 176.997 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -65.97 -40.63 91.43 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 122.809 1.29 . . . . 55.340000000000003 111.961 -175.862 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -72.75 -44.01 62.17 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 108.593 -0.892 . . . . 81.040000000000006 108.593 -176.239 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -63.86 -36.91 85.46 Favored 'General case' 0 N--CA 1.452 -0.335 0 O-C-N 124.805 1.316 . . . . 50.140000000000001 114.436 179.052 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 14' ' ' LEU . 97.4 t -71.36 -40.64 73.43 Favored 'Isoleucine or valine' 0 C--O 1.251 1.14 0 C-N-CA 120.094 -0.642 . . . . 43.789999999999999 110.523 177.237 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.09 -43.38 98.96 Favored 'General case' 0 N--CA 1.483 1.213 0 O-C-N 124.057 0.848 . . . . 63.960000000000001 108.998 179.236 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.04 -50.12 64.94 Favored 'General case' 0 CA--C 1.507 -0.695 0 C-N-CA 124.115 0.966 . . . . 69.760000000000005 111.446 169.379 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.78 -44.34 86.18 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 120.678 -0.409 . . . . 38.200000000000003 110.291 -177.914 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.06 -53.08 62.34 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 114.218 1.192 . . . . 39.68 114.218 177.708 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.6 m -52.32 -44.87 65.35 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.266 -0.425 . . . . 52.049999999999997 110.245 175.005 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 28.4 mt -59.19 -48.66 80.79 Favored 'General case' 0 C--O 1.243 0.717 0 O-C-N 124.749 1.28 . . . . 37.770000000000003 112.546 179.284 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.3 mm -53.27 -40.53 39.66 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.847 0 CA-C-O 121.659 0.742 . . . . 41.469999999999999 109.636 173.791 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.465 ' NE2' ' OD1' ' B' ' 15' ' ' ASP . 65.6 m170 -69.75 -42.9 73.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.169 -0.469 . . . . 40.600000000000001 110.299 -175.99 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -69.11 -42.97 75.39 Favored 'General case' 0 CA--C 1.498 -1.041 0 O-C-N 123.69 0.619 . . . . 66.269999999999996 112.149 179.139 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.7 mt -59.46 -43.39 90.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 N-CA-C 113.886 1.069 . . . . 42.130000000000003 113.886 177.59 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 35.2 tptt -50.0 -51.43 41.94 Favored 'General case' 0 CA--C 1.503 -0.852 0 O-C-N 123.15 0.282 . . . . 44.170000000000002 111.645 171.072 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.547 ' O ' ' HB ' ' A' ' 34' ' ' THR . 4.6 mm -59.43 -49.34 83.92 Favored 'Isoleucine or valine' 0 C--O 1.243 0.733 0 C-N-CA 119.948 -0.701 . . . . 43.5 110.343 -177.34 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -48.95 -34.26 12.56 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 115.666 1.728 . . . . 53.829999999999998 115.666 172.762 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -76.35 -51.8 11.18 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 117.83 0.286 . . . . 66.5 111.213 -179.921 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 75.5 mt -53.31 -37.19 28.07 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 N-CA-C 106.166 -1.79 . . . . 53.590000000000003 106.166 -179.85 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' THR . . . . . 0.547 ' HB ' ' O ' ' A' ' 30' ' ' ILE . 0.7 OUTLIER -89.89 -9.88 47.33 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 116.49 2.033 . . . . 55.780000000000001 116.49 -169.44 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.66 26.75 73.68 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 115.936 1.134 . . . . 51.68 115.936 -176.32 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 -63.54 131.91 49.59 Favored 'General case' 0 N--CA 1.441 -0.88 0 O-C-N 121.508 -0.995 . . . . 66.540000000000006 112.319 -179.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' MSE . . . . . . . . . . . . . 13.6 mtm -78.62 -26.01 45.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.027 -0.533 . . . . 107.44 111.12 -170.856 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -72.73 112.68 8.99 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 116.173 -0.467 . . . . 69.349999999999994 110.271 173.317 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -104.11 11.12 35.53 Favored 'General case' 0 C--O 1.214 -0.799 0 CA-C-N 115.693 -0.685 . . . . 68.379999999999995 109.807 -176.288 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -62.95 -22.64 66.94 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 115.928 1.825 . . . . 73.670000000000002 115.928 -171.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.5 mttp -75.8 -30.3 59.02 Favored 'General case' 0 N--CA 1.435 -1.193 0 N-CA-C 108.938 -0.764 . . . . 54.43 108.938 -178.049 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.4 tp -66.57 -43.37 85.16 Favored 'General case' 0 CA--C 1.566 1.59 0 N-CA-C 112.908 0.707 . . . . 47.740000000000002 112.908 173.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.88 -33.04 58.21 Favored Glycine 0 C--N 1.335 0.523 0 C-N-CA 120.559 -0.829 . . . . 48.600000000000001 111.678 179.148 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.5 tttm -61.37 -40.93 96.11 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 119.879 -0.728 . . . . 54.710000000000001 111.825 169.461 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.89 -38.43 78.85 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 111.95 0.352 . . . . 43.109999999999999 111.95 173.078 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -68.52 -42.58 78.33 Favored 'General case' 0 C--O 1.2 -1.53 0 N-CA-C 107.498 -1.297 . . . . 52.93 107.498 -178.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -61.94 -39.36 91.82 Favored 'General case' 0 CA--C 1.513 -0.456 0 C-N-CA 124.599 1.16 . . . . 49.880000000000003 109.45 177.768 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -64.23 -45.42 88.3 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-O 117.205 -1.379 . . . . 42.579999999999998 112.418 -177.739 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.732 HG11 HG22 ' B' ' 52' ' ' ILE . 0.0 OUTLIER -59.05 -34.64 53.76 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 C-N-CA 118.988 -1.085 . . . . 46.450000000000003 113.025 176.733 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -76.3 -28.7 57.08 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-O 122.073 0.939 . . . . 57.259999999999998 110.293 -172.445 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.17 -38.39 36.01 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 113.541 -1.663 . . . . 51.229999999999997 109.796 175.289 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.0 mt -59.81 -45.0 95.26 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.311 0 O-C-N 121.768 -0.582 . . . . 42.020000000000003 111.937 170.395 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -55.75 -42.64 75.74 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.267 1.427 . . . . 60.280000000000001 112.628 175.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.619 ' O ' ' HG2' ' A' ' 58' ' ' GLN . . . -77.55 -35.91 52.77 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.408 -0.808 . . . . 50.109999999999999 110.328 -175.852 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -62.28 -49.8 74.22 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 123.231 0.612 . . . . 57.840000000000003 112.337 174.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 25.2 tp -61.72 -37.66 85.0 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.962 -0.563 . . . . 48.350000000000001 111.799 178.982 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -62.41 -46.79 86.98 Favored 'General case' 0 CA--C 1.55 0.957 0 O-C-N 123.377 0.423 . . . . 54.619999999999997 109.916 176.281 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.619 ' HG2' ' O ' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -58.39 -46.66 85.94 Favored 'General case' 0 CA--C 1.496 -1.097 0 N-CA-C 110.131 -0.322 . . . . 72.530000000000001 110.131 174.872 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.414 ' O ' ' HB2' ' A' ' 63' ' ' SER . 48.5 tp -59.89 -34.72 73.55 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 123.461 0.475 . . . . 56.079999999999998 110.006 -178.167 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.475 HG12 ' HG ' ' B' ' 42' ' ' LEU . 24.3 mt -68.44 -46.81 79.83 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 C-N-CA 119.518 -0.873 . . . . 51.810000000000002 112.048 178.272 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.61 -29.53 70.54 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 124.876 1.27 . . . . 63.590000000000003 113.034 -178.713 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.0 t -88.08 -35.39 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 124.945 1.298 . . . . 68.859999999999999 111.157 179.981 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' SER . . . . . 0.449 ' HB3' ' CD2' ' A' ' 64' ' ' HIS . 0.6 OUTLIER -62.19 -28.6 69.78 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 112.991 0.737 . . . . 79.370000000000005 112.991 -178.393 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.449 ' CD2' ' HB3' ' A' ' 63' ' ' SER . 11.5 m-70 -139.19 123.54 18.18 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 108.731 -0.84 . . . . 89.230000000000004 108.731 -176.524 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 112.291 0.478 . . . . 99.890000000000001 112.291 172.367 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.908 HD11 ' OE2' ' B' ' 9' ' ' GLU . 10.6 tp . . . . . 0 N--CA 1.477 0.907 0 CA-C-O 122.048 0.927 . . . . 86.760000000000005 109.663 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -55.98 -43.3 77.46 Favored 'General case' 0 C--O 1.253 1.274 0 CA-C-N 115.195 -0.912 . . . . 64.099999999999994 111.796 172.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -51.15 -51.54 52.66 Favored 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 107.739 -1.208 . . . . 77.209999999999994 107.739 176.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.908 ' OE2' HD11 ' B' ' 6' ' ' LEU . 5.1 mt-10 -70.35 -38.8 74.9 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 113.329 0.863 . . . . 83.569999999999993 113.329 -174.155 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.443 HD11 ' HB3' ' B' ' 58' ' ' GLN . 5.4 mt -57.5 -48.25 79.75 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 109.079 -0.712 . . . . 51.960000000000001 109.079 178.729 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -63.02 -40.94 99.24 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 123.971 0.794 . . . . 43.280000000000001 108.986 -179.376 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -62.33 -42.27 99.24 Favored 'General case' 0 C--N 1.314 -0.963 0 C-N-CA 118.226 -1.39 . . . . 67.909999999999997 112.865 -179.948 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' MSE . . . . . . . . . . . . . 37.1 mtm -69.63 -47.09 64.63 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.119 -0.491 . . . . 95.329999999999998 111.232 -177.819 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.474 ' O ' HG23 ' B' ' 18' ' ' VAL . 8.4 mt -46.03 -52.86 11.14 Favored 'General case' 0 C--N 1.345 0.409 0 C-N-CA 125.008 1.323 . . . . 46.479999999999997 111.864 173.474 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' ASP . . . . . 0.465 ' OD1' ' NE2' ' A' ' 26' ' ' HIS . 25.4 t70 -65.93 -45.79 80.54 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 109.299 -0.63 . . . . 58.359999999999999 109.299 -176.258 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 59.6 tt0 -62.22 -39.46 92.87 Favored 'General case' 0 CA--C 1.563 1.463 0 N-CA-C 112.281 0.474 . . . . 63.82 112.281 176.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -72.45 -43.03 64.33 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.043 -1.036 . . . . 49.149999999999999 110.781 -177.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.474 HG23 ' O ' ' B' ' 14' ' ' LEU . 48.7 t -61.15 -40.38 85.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 N-CA-C 113.136 0.791 . . . . 43.840000000000003 113.136 176.461 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.449 ' NH2' ' HE2' ' A' ' 26' ' ' HIS . 66.8 mtt-85 -60.29 -54.56 44.31 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-O 121.822 0.82 . . . . 72.769999999999996 108.811 176.156 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -50.89 -34.97 30.51 Favored 'General case' 0 N--CA 1.424 -1.735 0 CA-C-N 115.078 -0.965 . . . . 76.359999999999999 110.807 -179.685 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.46 ' O ' HG12 ' B' ' 25' ' ' ILE . 0.0 OUTLIER -70.29 -38.15 74.97 Favored 'General case' 0 CA--C 1.509 -0.616 0 C-N-CA 120.259 -0.576 . . . . 47.579999999999998 110.248 -177.266 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -52.02 67.56 Favored 'General case' 0 CA--C 1.511 -0.535 0 O-C-N 123.845 0.716 . . . . 50.729999999999997 109.434 176.64 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 6.0 m -52.34 -44.44 65.17 Favored 'General case' 0 N--CA 1.435 -1.198 0 O-C-N 124.426 1.079 . . . . 60.979999999999997 110.252 177.187 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.64 -48.83 68.18 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 115.007 -0.997 . . . . 51.969999999999999 109.837 -174.963 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ILE . . . . . 0.46 HG12 ' O ' ' B' ' 21' ' ' LEU . 32.7 mm -50.24 -42.66 20.58 Favored 'Isoleucine or valine' 0 C--O 1.254 1.293 0 N-CA-C 112.563 0.579 . . . . 52.200000000000003 112.563 172.703 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 68.2 m170 -63.74 -54.34 36.96 Favored 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.515 0.51 . . . . 64.079999999999998 109.97 -178.555 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.79 ' OE1' ' HE2' ' B' ' 41' ' ' LYS . 3.2 mt-10 -48.99 -47.76 44.04 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 125.224 1.41 . . . . 75.129999999999995 111.248 173.556 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 52.9 mt -63.73 -43.47 98.02 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.218 0 C-N-CA 118.929 -1.109 . . . . 56.920000000000002 111.239 178.906 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.426 ' O ' HG23 ' B' ' 33' ' ' ILE . 5.6 tttt -51.29 -57.83 7.81 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.151 0.887 . . . . 71.819999999999993 112.072 179.157 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 21.6 mm -49.59 -47.33 20.97 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.116 0 N-CA-C 116.605 2.076 . . . . 68.140000000000001 116.605 169.44 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -52.86 -44.65 66.96 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 113.933 1.086 . . . . 76.040000000000006 113.933 176.075 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -56.61 -49.21 75.62 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.167 -0.679 . . . . 81.209999999999994 109.167 172.257 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.426 HG23 ' O ' ' B' ' 29' ' ' LYS . 0.5 OUTLIER -80.3 -18.68 12.22 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.49 0 N-CA-C 113.603 0.964 . . . . 86.700000000000003 113.603 -168.341 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 4.4 p -84.66 13.02 6.12 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 106.813 -1.551 . . . . 85.680000000000007 106.813 170.845 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 41.99 82.25 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 N-CA-C 109.26 -1.536 . . . . 85.560000000000002 109.26 -166.677 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -138.3 163.18 32.47 Favored 'General case' 0 C--O 1.242 0.693 0 N-CA-C 113.497 0.925 . . . . 90.549999999999997 113.497 -172.579 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' MSE . . . . . . . . . . . . . 0.4 OUTLIER -77.02 99.67 5.38 Favored 'General case' 0 C--O 1.249 1.05 0 CA-C-O 122.166 0.984 . . . . 144.34999999999999 110.129 176.639 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -99.3 -4.57 31.51 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 114.09 -1.413 . . . . 84.900000000000006 108.332 -177.842 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -51.25 -57.08 9.78 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.897 0.703 . . . . 65.780000000000001 112.897 -174.141 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -34.08 70.71 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 119.308 -0.957 . . . . 70.359999999999999 110.561 -178.444 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.79 ' HE2' ' OE1' ' B' ' 27' ' ' GLU . 17.7 mttt -76.36 -35.89 58.45 Favored 'General case' 0 N--CA 1.433 -1.293 0 CA-C-N 116.4 -0.363 . . . . 55.659999999999997 110.322 -178.19 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.475 ' HG ' HG12 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -58.43 -47.45 83.91 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 119.5 -0.88 . . . . 50.289999999999999 110.334 172.181 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.9 -43.75 97.07 Favored Glycine 0 C--N 1.347 1.181 0 C-N-CA 125.123 1.344 . . . . 44.009999999999998 113.124 -178.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 72.1 tttt -57.28 -46.92 82.65 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 115.333 -0.433 . . . . 46.939999999999998 111.111 171.096 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.52 -43.93 80.28 Favored 'General case' 0 C--O 1.252 1.228 0 CA-C-N 118.296 0.498 . . . . 46.600000000000001 111.521 172.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -52.0 -52.02 53.44 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 120.569 -0.452 . . . . 48.100000000000001 111.112 178.774 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -70.29 -29.54 66.33 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-O 121.292 0.567 . . . . 38.609999999999999 110.57 -177.488 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -63.54 -49.44 73.47 Favored 'General case' 0 C--N 1.307 -1.241 0 C-N-CA 119.638 -0.825 . . . . 55.359999999999999 112.359 179.274 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 46.9 t -59.31 -39.1 78.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 113.853 1.057 . . . . 39.280000000000001 113.853 172.469 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -60.75 -44.02 97.23 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 119.133 -1.027 . . . . 37.829999999999998 109.507 175.68 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -64.39 -38.9 92.65 Favored 'General case' 0 N--CA 1.445 -0.715 0 O-C-N 121.912 -0.492 . . . . 44.43 110.883 179.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' ILE . . . . . 0.732 HG22 HG11 ' A' ' 49' ' ' VAL . 11.7 mt -62.66 -44.26 99.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 C-N-CA 119.721 -0.791 . . . . 37.609999999999999 110.228 175.257 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -39.36 76.04 Favored 'General case' 0 C--O 1.214 -0.808 0 N-CA-C 109.035 -0.728 . . . . 83.590000000000003 109.035 179.776 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.47 -43.85 63.12 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 120.281 -0.567 . . . . 34.149999999999999 109.777 -173.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -59.49 -39.45 83.8 Favored 'General case' 0 C--O 1.209 -1.069 0 N-CA-C 116.748 2.129 . . . . 45.890000000000001 116.748 170.298 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.482 HD23 ' CG2' ' A' ' 49' ' ' VAL . 0.0 OUTLIER -69.08 -29.47 67.58 Favored 'General case' 0 C--O 1.247 0.955 0 O-C-N 121.252 -0.905 . . . . 46.439999999999998 111.219 175.29 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -70.73 -45.73 64.34 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 123.846 0.716 . . . . 45.649999999999999 110.998 177.28 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' GLN . . . . . 0.443 ' HB3' HD11 ' B' ' 10' ' ' LEU . 14.3 mm100 -58.36 -40.38 82.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.671 -0.695 . . . . 58.100000000000001 111.454 168.796 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 14.9 tp -60.72 -45.02 95.86 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.105 -0.638 . . . . 48.670000000000002 110.675 177.079 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 55.7 mt -58.75 -37.81 68.29 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.705 0 N-CA-C 113.514 0.931 . . . . 44.560000000000002 113.514 173.82 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.26 -60.27 2.95 Favored 'General case' 0 C--O 1.203 -1.354 0 CA-C-N 119.071 0.85 . . . . 69.680000000000007 109.948 179.101 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 7.0 t -39.41 -49.75 0.51 Allowed 'Isoleucine or valine' 0 C--O 1.207 -1.173 0 N-CA-C 115.028 1.492 . . . . 53.090000000000003 115.028 168.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 19.5 m -66.89 -4.37 9.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 121.139 -0.975 . . . . 68.829999999999998 111.709 -176.956 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' HIS . . . . . 0.448 ' CD2' ' O ' ' B' ' 64' ' ' HIS . 25.4 t60 -117.36 23.05 12.06 Favored 'General case' 0 N--CA 1.438 -1.075 0 C-N-CA 119.552 -0.859 . . . . 82.060000000000002 111.349 -168.728 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' HIS . . . . . . . . . . . . . 21.3 t60 60.88 51.04 4.86 Favored 'General case' 0 C--O 1.251 1.134 0 N-CA-C 108.26 -1.015 . . . . 98.629999999999995 108.26 -177.35 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.241 0.626 0 CA-C-N 115.519 -0.764 . . . . 96.480000000000004 110.673 -174.954 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' GLU . . . . . 0.995 ' OE1' ' HA ' ' C' ' 7' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.757 0 CA-C-O 121.615 0.721 . . . . 90.0 112.771 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' LYS . . . . . 0.54 ' HE3' ' HG3' ' C' ' 9' ' ' GLU . 0.0 OUTLIER -61.58 -5.41 1.83 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 114.331 -1.304 . . . . 90.799999999999997 111.492 168.314 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' GLU . . . . . 0.54 ' HG3' ' HE3' ' C' ' 8' ' ' LYS . 2.2 mp0 -80.17 9.65 5.38 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 113.218 0.822 . . . . 96.799999999999997 113.218 179.26 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' LEU . . . . . 0.606 ' O ' ' HB2' ' C' ' 13' ' ' MSE . 3.5 mt -97.33 -22.4 16.66 Favored 'General case' 0 C--O 1.24 0.603 0 N-CA-C 109.22 -0.659 . . . . 88.650000000000006 109.22 170.4 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' PHE . . . . . 0.704 ' HD1' ' HD2' ' D' ' 29' ' ' LYS . 1.4 m-85 -82.12 -36.92 27.0 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.474 -0.936 . . . . 82.030000000000001 108.474 171.869 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' GLU . . . . . 0.44 ' HB2' ' NZ ' ' C' ' 8' ' ' LYS . 4.8 tp10 -59.47 -36.07 75.29 Favored 'General case' 0 C--O 1.242 0.661 0 N-CA-C 107.567 -1.271 . . . . 91.040000000000006 107.567 172.679 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' MSE . . . . . 0.606 ' HB2' ' O ' ' C' ' 10' ' ' LEU . 5.6 mmm -55.3 -71.27 0.09 Allowed 'General case' 0 C--O 1.243 0.745 0 CA-C-N 114.832 -1.076 . . . . 115.78 110.739 169.982 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' LEU . . . . . 0.419 HD21 HD22 ' C' ' 56' ' ' LEU . 8.2 mt -47.93 -54.78 11.65 Favored 'General case' 0 CA--C 1.499 -1.006 0 C-N-CA 124.223 1.009 . . . . 75.799999999999997 111.211 -174.852 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -52.66 -54.59 31.34 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.363 -0.835 . . . . 82.640000000000001 112.54 -173.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -59.63 -37.29 78.26 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 116.463 2.023 . . . . 91.409999999999997 116.463 177.172 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -73.16 -38.97 66.02 Favored 'General case' 0 C--O 1.241 0.637 0 C-N-CA 123.049 0.539 . . . . 58.539999999999999 111.667 -174.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 40.7 t -69.19 -37.88 77.02 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.758 0 CA-C-N 114.94 -1.027 . . . . 59.289999999999999 110.121 175.378 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 14.5 mtt-85 -59.08 -45.52 90.61 Favored 'General case' 0 C--O 1.248 0.994 0 N-CA-C 112.534 0.568 . . . . 78.040000000000006 112.534 169.654 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 29.5 tp10 -63.13 -39.22 94.04 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 108.531 -0.915 . . . . 65.719999999999999 108.531 -177.673 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 21' ' ' LEU . . . . . 0.466 ' O ' HG12 ' C' ' 25' ' ' ILE . 0.0 OUTLIER -59.15 -50.99 71.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.069 -0.969 . . . . 50.009999999999998 108.705 178.711 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 22' ' ' LEU . . . . . 0.562 HD22 ' CE1' ' C' ' 26' ' ' HIS . 0.7 OUTLIER -51.1 -53.27 35.72 Favored 'General case' 0 C--O 1.251 1.172 0 O-C-N 123.553 0.533 . . . . 48.539999999999999 112.052 178.357 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 20.2 m -53.27 -39.73 64.12 Favored 'General case' 0 CA--C 1.511 -0.526 0 O-C-N 124.353 1.033 . . . . 49.719999999999999 112.742 176.276 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 24' ' ' LEU . . . . . . . . . . . . . 75.7 mt -66.9 -46.79 73.8 Favored 'General case' 0 CA--C 1.512 -0.499 0 C-N-CA 119.59 -0.844 . . . . 43.43 110.076 -178.253 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 25' ' ' ILE . . . . . 0.466 HG12 ' O ' ' C' ' 21' ' ' LEU . 2.5 mm -55.79 -41.52 66.4 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.209 0 N-CA-C 107.307 -1.368 . . . . 45.939999999999998 107.307 179.6 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 26' ' ' HIS . . . . . 0.562 ' CE1' HD22 ' C' ' 22' ' ' LEU . 5.1 m-70 -64.12 -48.56 75.61 Favored 'General case' 0 C--O 1.25 1.129 0 N-CA-C 112.896 0.702 . . . . 46.640000000000001 112.896 -177.789 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -64.58 -42.23 95.74 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 116.042 -0.526 . . . . 67.409999999999997 111.95 177.518 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 28' ' ' ILE . . . . . . . . . . . . . 59.6 mt -63.52 -37.78 80.48 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 N-CA-C 108.241 -1.022 . . . . 40.350000000000001 108.241 -176.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 10.3 tptt -59.85 -52.99 63.07 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.599 0.714 . . . . 42.109999999999999 110.915 176.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 39.5 mm -51.77 -45.53 38.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 C-N-CA 118.866 -1.133 . . . . 47.100000000000001 113.797 173.933 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 31' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -57.24 -40.18 77.08 Favored 'General case' 0 C--O 1.248 0.984 0 CA-C-N 118.236 0.471 . . . . 52.990000000000002 110.614 178.053 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -63.19 -52.67 61.41 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 118.663 -1.215 . . . . 54.210000000000001 109.809 -177.46 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 29.3 mt -54.78 -43.48 67.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 119.014 -0.517 . . . . 53.840000000000003 111.024 177.475 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 34' ' ' THR . . . . . . . . . . . . . 71.8 p -77.38 -18.61 57.18 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 115.703 1.742 . . . . 51.729999999999997 115.703 -179.891 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.35 5.61 87.68 Favored Glycine 0 CA--C 1.534 1.279 0 N-CA-C 115.943 1.137 . . . . 60.689999999999998 115.943 -172.332 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 36' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -73.31 160.16 32.27 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.867 0.867 . . . . 75.609999999999999 112.571 170.618 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 37' ' ' MSE . . . . . . . . . . . . . 12.3 mtp -73.91 115.24 13.13 Favored 'General case' 0 C--O 1.25 1.122 0 N-CA-C 116.877 2.177 . . . . 123.51000000000001 116.877 -165.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -99.15 -12.7 20.23 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 114.274 -1.33 . . . . 62.579999999999998 113.354 -171.795 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 39' ' ' LYS . . . . . 0.582 ' HZ1' ' CE1' ' D' ' 66' ' ' HIS . 0.0 OUTLIER -57.4 -52.64 64.55 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 114.706 1.373 . . . . 70.870000000000005 114.706 -164.508 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 40' ' ' GLN . . . . . 0.446 ' NE2' ' ND1' ' A' ' 26' ' ' HIS . 11.4 tm0? -56.69 -52.32 65.38 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 109.549 -0.537 . . . . 57.399999999999999 109.549 179.612 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 41' ' ' LYS . . . . . . . . . . . . . 6.5 mtmm -60.4 -40.67 91.78 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 112.796 0.665 . . . . 64.109999999999999 112.796 177.594 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 12.3 tp -57.84 -45.58 86.03 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 119.504 -0.878 . . . . 47.32 112.565 175.217 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.29 -39.28 95.88 Favored Glycine 0 C--O 1.251 1.204 0 N-CA-C 109.382 -1.487 . . . . 42.039999999999999 109.382 178.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -60.69 -46.23 91.15 Favored 'General case' 0 N--CA 1.438 -1.066 0 C-N-CA 119.415 -0.914 . . . . 51.159999999999997 110.733 178.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.88 -43.65 81.49 Favored 'General case' 0 C--O 1.264 1.843 0 C-N-CA 124.602 1.161 . . . . 41.799999999999997 109.886 177.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 46' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -50.87 -53.02 36.01 Favored 'General case' 0 C--N 1.357 0.929 0 O-C-N 124.343 1.027 . . . . 52.840000000000003 108.431 175.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -67.26 -33.15 74.72 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 112.878 0.695 . . . . 40.289999999999999 112.878 -178.458 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -55.71 -46.16 77.74 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 121.439 -0.788 . . . . 56.340000000000003 111.479 173.136 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 50.8 t -58.71 -58.77 5.29 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 CA-C-N 116.069 -0.514 . . . . 56.420000000000002 110.905 178.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -48.48 -45.11 36.47 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 112.534 0.568 . . . . 57.780000000000001 112.534 174.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 51' ' ' LYS . . . . . 0.731 ' O ' ' HG2' ' C' ' 55' ' ' GLU . 14.8 tttt -56.75 -34.86 67.96 Favored 'General case' 0 C--O 1.213 -0.832 0 C-N-CA 120.736 -0.385 . . . . 64.950000000000003 110.787 176.782 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 52' ' ' ILE . . . . . 0.521 ' HA ' ' HG3' ' C' ' 55' ' ' GLU . 6.7 mt -76.17 -38.03 33.57 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.992 0 N-CA-C 107.603 -1.258 . . . . 59.479999999999997 107.603 -174.642 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -59.07 -55.28 37.04 Favored 'General case' 0 N--CA 1.439 -0.99 0 N-CA-C 105.466 -2.05 . . . . 69.650000000000006 105.466 178.125 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 54' ' ' ALA . . . . . . . . . . . . . . . -46.81 -53.41 12.04 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 114.919 -1.037 . . . . 70.319999999999993 111.248 -176.859 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 55' ' ' GLU . . . . . 0.731 ' HG2' ' O ' ' C' ' 51' ' ' LYS . 0.0 OUTLIER -56.89 -48.13 78.9 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 123.009 0.193 . . . . 77.510000000000005 111.346 176.352 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 56' ' ' LEU . . . . . 0.419 HD22 HD21 ' C' ' 14' ' ' LEU . 0.0 OUTLIER -54.18 -55.81 24.32 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 122.041 -0.412 . . . . 77.189999999999998 110.48 178.328 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 57' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -54.21 -48.97 70.45 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 124.679 1.192 . . . . 87.969999999999999 112.561 -178.02 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.93 -64.67 0.74 Allowed 'General case' 0 C--O 1.237 0.398 0 N-CA-C 108.12 -1.067 . . . . 88.049999999999997 108.12 172.13 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 59' ' ' LEU . . . . . 0.679 HD21 ' CE2' ' C' ' 11' ' ' PHE . 0.4 OUTLIER -72.11 1.97 6.58 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 116.093 1.886 . . . . 84.810000000000002 116.093 -173.013 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -77.49 -48.32 24.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 N-CA-C 108.594 -0.891 . . . . 82.489999999999995 108.594 163.077 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 61' ' ' LYS . . . . . 0.444 ' HA ' ' NE2' ' C' ' 64' ' ' HIS . 0.6 OUTLIER -64.09 -40.43 96.23 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 114.62 1.341 . . . . 85.439999999999998 114.62 -178.538 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -77.59 3.95 1.4 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.321 0 N-CA-C 115.182 1.549 . . . . 85.219999999999999 115.182 172.371 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.78 -44.65 6.99 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 119.515 -0.874 . . . . 94.189999999999998 111.478 177.633 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 64' ' ' HIS . . . . . 0.444 ' NE2' ' HA ' ' C' ' 61' ' ' LYS . 1.9 p-80 . . . . . 0 CA--C 1.536 0.437 0 CA-C-O 121.447 0.641 . . . . 108.29000000000001 111.015 174.609 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 78.2 p . . . . . 0 N--CA 1.507 2.413 0 N-CA-C 113.757 1.021 . . . . 93.310000000000002 113.757 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 1.8 mmtm -78.16 -23.28 47.75 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 108.106 -1.072 . . . . 89.629999999999995 108.106 168.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -47.85 -50.58 25.89 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.631 1.973 . . . . 93.760000000000005 111.55 167.949 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 23.3 m -81.54 -35.91 14.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.02 -0.733 . . . . 66.859999999999999 109.02 -175.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 35.8 tp -56.05 -48.89 75.17 Favored 'General case' 0 CA--C 1.572 1.809 0 C-N-CA 119.531 -0.868 . . . . 59.609999999999999 111.616 171.027 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -59.98 -41.19 91.45 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 109.721 -0.474 . . . . 50.390000000000001 109.721 178.754 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 8' ' ' LYS . . . . . 0.447 ' HD3' ' OE2' ' D' ' 12' ' ' GLU . 1.8 tmtt? -64.14 -44.58 91.71 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-O 121.807 0.813 . . . . 70.140000000000001 111.089 -177.179 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 9' ' ' GLU . . . . . 0.537 ' OE2' ' HE3' ' D' ' 13' ' ' MSE . 3.6 tm-20 -64.63 -39.84 94.42 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.521 -1.218 . . . . 87.709999999999994 111.019 179.231 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 10' ' ' LEU . . . . . . . . . . . . . 17.0 mt -67.31 -42.97 82.79 Favored 'General case' 0 CA--C 1.486 -1.491 0 N-CA-C 109.517 -0.549 . . . . 45.640000000000001 109.517 -178.399 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -55.24 -49.32 72.3 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 123.951 0.782 . . . . 48.869999999999997 110.878 175.946 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 12' ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' D' ' 16' ' ' GLU . 37.2 mt-10 -65.47 -45.05 85.19 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 113.681 0.993 . . . . 77.560000000000002 113.681 -178.151 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 13' ' ' MSE . . . . . 0.537 ' HE3' ' OE2' ' D' ' 9' ' ' GLU . 34.8 ttm -57.97 -42.54 85.22 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 116.033 -0.53 . . . . 98.849999999999994 112.101 175.449 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 14' ' ' LEU . . . . . 0.435 ' O ' HG23 ' D' ' 18' ' ' VAL . 26.9 tp -64.99 -42.91 94.11 Favored 'General case' 0 C--O 1.257 1.489 0 CA-C-N 115.619 -0.719 . . . . 48.700000000000003 111.602 178.705 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 15' ' ' ASP . . . . . 0.485 ' OD1' ' HE1' ' C' ' 26' ' ' HIS . 2.1 t70 -57.57 -46.66 83.69 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 116.262 1.949 . . . . 56.969999999999999 116.262 171.356 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 16' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' D' ' 12' ' ' GLU . 1.7 pt-20 -65.56 -46.4 79.64 Favored 'General case' 0 CA--C 1.508 -0.673 0 C-N-CA 117.339 -1.744 . . . . 65.420000000000002 111.429 -178.764 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -50.41 -45.31 55.59 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 115.576 1.695 . . . . 57.509999999999998 115.576 173.587 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.435 HG23 ' O ' ' D' ' 14' ' ' LEU . 48.0 t -67.44 -44.44 86.85 Favored 'Isoleucine or valine' 0 C--O 1.252 1.189 0 N-CA-C 113.03 0.752 . . . . 53.369999999999997 113.03 175.135 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.1 -50.69 68.57 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-O 121.596 0.713 . . . . 70.099999999999994 110.812 171.51 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -47.71 -69.7 0.12 Allowed 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.198 -0.91 . . . . 78.680000000000007 110.303 173.901 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 21' ' ' LEU . . . . . . . . . . . . . 14.1 tp -45.11 -43.66 9.86 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 124.242 1.017 . . . . 67.799999999999997 111.253 178.785 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.62 -27.52 69.27 Favored 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 113.861 1.06 . . . . 78.090000000000003 113.861 176.81 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 58.3 m -71.68 -48.83 44.86 Favored 'General case' 0 C--O 1.247 0.948 0 CA-C-N 115.653 -0.703 . . . . 77.329999999999998 109.135 172.579 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 24' ' ' LEU . . . . . 0.753 ' O ' HG12 ' D' ' 28' ' ' ILE . 7.4 mt -49.13 -50.08 39.08 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.521 0.513 . . . . 76.340000000000003 110.438 -179.929 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 31.7 mm -54.77 -48.78 72.71 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 O-C-N 123.314 0.384 . . . . 81.900000000000006 111.46 -177.314 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 26' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -68.57 -47.54 66.53 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.996 0.739 . . . . 93.150000000000006 112.996 -174.32 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 27' ' ' GLU . . . . . 0.575 ' OE1' HD13 ' D' ' 28' ' ' ILE . 0.0 OUTLIER -45.35 -53.43 8.56 Favored 'General case' 0 CA--C 1.557 1.248 0 CA-C-N 114.868 -1.06 . . . . 91.879999999999995 110.848 162.317 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' D' D ' 28' ' ' ILE . . . . . 0.753 HG12 ' O ' ' D' ' 24' ' ' LEU . 27.8 mm -63.22 -36.21 75.09 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 N-CA-C 113.124 0.787 . . . . 86.030000000000001 113.124 179.874 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 29' ' ' LYS . . . . . 0.704 ' HD2' ' HD1' ' C' ' 11' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.608 0 O-C-N 124.179 0.924 . . . . 87.590000000000003 113.424 179.746 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.562 0 N-CA-C 110.058 -0.349 . . . . 82.769999999999996 110.058 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.87 -36.81 75.24 Favored 'General case' 0 C--O 1.256 1.434 0 C-N-CA 125.956 1.703 . . . . 89.069999999999993 111.703 -179.74 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 41' ' ' LYS . . . . . 0.509 ' HB3' HD11 ' D' ' 28' ' ' ILE . 19.8 mttt -89.43 -28.11 19.95 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 115.36 1.615 . . . . 77.659999999999997 115.36 -171.06 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 42' ' ' LEU . . . . . 0.578 HD21 HD23 ' C' ' 59' ' ' LEU . 0.2 OUTLIER -60.87 -47.99 83.85 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 109.468 -0.567 . . . . 79.280000000000001 109.468 168.048 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' D' D ' 43' ' ' GLY . . . . . 0.406 ' O ' ' CE1' ' D' ' 47' ' ' PHE . . . -58.63 -32.69 69.78 Favored Glycine 0 C--O 1.242 0.605 0 N-CA-C 110.782 -0.927 . . . . 69.890000000000001 110.782 175.547 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 44' ' ' LYS . . . . . 0.547 ' HA ' ' CD1' ' D' ' 47' ' ' PHE . 2.2 tttp -72.41 -47.28 50.41 Favored 'General case' 0 C--O 1.261 1.71 0 CA-C-O 121.885 0.85 . . . . 73.030000000000001 111.825 -175.332 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -42.79 -40.5 2.87 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 113.787 -1.551 . . . . 69.549999999999997 110.965 167.101 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 46' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -70.11 -35.05 73.84 Favored 'General case' 0 C--O 1.214 -0.779 0 C-N-CA 119.802 -0.759 . . . . 66.459999999999994 112.957 -175.174 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 47' ' ' PHE . . . . . 0.547 ' CD1' ' HA ' ' D' ' 44' ' ' LYS . 23.9 m-85 -72.98 -31.79 64.77 Favored 'General case' 0 C--O 1.246 0.9 0 CA-C-O 122.079 0.942 . . . . 77.700000000000003 111.077 -176.973 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 48' ' ' GLN . . . . . 0.416 HE21 ' HB2' ' D' ' 48' ' ' GLN . 4.5 tp-100 -61.3 -58.13 9.53 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-N 112.544 -2.116 . . . . 74.980000000000004 108.102 178.852 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 50.2 t -51.08 -34.83 14.52 Favored 'Isoleucine or valine' 0 C--O 1.246 0.915 0 C-N-CA 124.295 1.038 . . . . 65.299999999999997 113.218 175.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.59 -31.84 70.23 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.046 -0.724 . . . . 81.560000000000002 109.046 -178.192 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 51' ' ' LYS . . . . . . . . . . . . . 8.4 tptm -74.29 -47.95 31.59 Favored 'General case' 0 C--O 1.261 1.704 0 CA-C-O 121.798 0.809 . . . . 63.32 109.63 177.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 52' ' ' ILE . . . . . . . . . . . . . 66.2 mt -50.26 -50.01 21.68 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 CA-C-N 114.463 -1.244 . . . . 49.909999999999997 109.199 172.324 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -49.94 -46.59 52.32 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.59 0.959 . . . . 67.060000000000002 113.59 175.105 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.04 -32.74 63.45 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 117.886 -1.526 . . . . 50.32 115.048 -177.888 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 55' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -62.94 -42.66 99.88 Favored 'General case' 0 C--O 1.265 1.877 0 N-CA-C 113.206 0.817 . . . . 64.230000000000004 113.206 173.041 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 12.6 tp -61.24 -49.91 75.19 Favored 'General case' 0 CA--C 1.494 -1.188 0 N-CA-C 108.142 -1.059 . . . . 47.43 108.142 179.063 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -51.08 -54.81 21.53 Favored 'General case' 0 CA--C 1.503 -0.857 0 O-C-N 124.402 1.064 . . . . 69.599999999999994 109.978 178.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 58' ' ' GLN . . . . . 0.459 ' O ' HG13 ' D' ' 62' ' ' VAL . 14.6 tt0 -57.45 -44.43 84.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.365 -0.834 . . . . 67.25 112.606 178.594 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 59' ' ' LEU . . . . . 0.533 ' O ' ' OG ' ' D' ' 63' ' ' SER . 20.2 tp -60.19 -40.87 91.56 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 120.706 -0.398 . . . . 44.909999999999997 111.783 179.042 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 60' ' ' ILE . . . . . . . . . . . . . 21.8 mt -59.69 -48.18 88.41 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 N-CA-C 109.522 -0.547 . . . . 48.32 109.522 176.358 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.32 -47.14 76.1 Favored 'General case' 0 C--O 1.253 1.278 0 CA-C-N 116.304 -0.407 . . . . 79.319999999999993 111.398 179.424 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 62' ' ' VAL . . . . . 0.459 HG13 ' O ' ' D' ' 58' ' ' GLN 0.308 0.7 OUTLIER -77.03 -40.38 30.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 N-CA-C 116.061 1.875 . . . . 57.549999999999997 116.061 -176.698 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' D' D ' 63' ' ' SER . . . . . 0.533 ' OG ' ' O ' ' D' ' 59' ' ' LEU . 0.3 OUTLIER -69.86 -34.33 73.46 Favored 'General case' 0 CA--C 1.511 -0.542 0 C-N-CA 119.367 -0.933 . . . . 56.969999999999999 109.437 -174.169 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' D' D ' 64' ' ' HIS . . . . . 0.415 ' O ' ' N ' ' D' ' 66' ' ' HIS . 73.2 m-70 -112.39 44.03 1.52 Allowed 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.599 -1.182 . . . . 70.010000000000005 111.187 -176.263 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 65' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -30.3 -28.93 0.0 OUTLIER 'General case' 0 CA--C 1.565 1.521 0 N-CA-C 116.24 1.941 . . . . 91.969999999999999 116.24 171.579 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 66' ' ' HIS . . . . . 0.582 ' CE1' ' HZ1' ' C' ' 39' ' ' LYS . 5.4 m80 . . . . . 0 N--CA 1.504 2.266 0 C-N-CA 127.561 2.344 . . . . 90.090000000000003 114.531 175.324 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_