data_1aar_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 1aar _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.0 ptt? . . . . . 0 C--O 1.246 0.908 0 CA-C-O 123.946 1.831 . . . . 10.33 107.027 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -97.29 127.16 43.01 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 126.799 2.039 . . . . 18.67 112.145 -178.506 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.6 pt -131.39 138.66 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 O-C-N 126.938 2.648 . . . . 13.21 110.099 173.594 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -89.57 139.89 30.09 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 108.171 -1.048 . . . . 16.94 108.171 174.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.4 t -118.71 107.98 23.0 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.428 0 N-CA-C 102.393 -3.188 . . . . 15.41 102.393 175.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -101.76 132.6 47.4 Favored 'General case' 0 C--N 1.287 -2.133 0 O-C-N 126.63 2.456 . . . . 20.95 111.824 -179.101 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.282 0.8 OUTLIER -83.3 154.2 24.24 Favored 'General case' 0 C--O 1.269 2.129 0 CA-C-N 111.203 -2.726 . . . . 20.35 106.723 178.009 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 mt -78.78 -19.57 51.89 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 125.982 2.051 . . . . 21.54 109.284 179.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 68.5 p -87.27 15.54 6.23 Favored 'General case' 0 C--O 1.252 1.201 0 C-N-CA 125.979 1.711 . . . . 21.16 112.887 177.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.59 -63.2 0.3 Allowed Glycine 0 C--O 1.275 2.661 1 N-CA-C 124.392 4.517 . . . . 22.8 124.392 176.394 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.92 130.6 44.36 Favored 'General case' 0 C--N 1.287 -2.125 0 C-N-CA 131.293 3.837 . . . . 20.99 120.803 -177.928 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.5 m -98.31 129.57 45.0 Favored 'General case' 0 C--O 1.244 0.815 0 CA-C-O 125.809 2.719 . . . . 16.57 110.658 177.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 23.9 mt -110.98 124.34 67.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 N-CA-C 104.893 -2.262 . . . . 17.67 104.893 178.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.9 p -100.7 134.73 43.24 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 105.947 -1.872 . . . . 18.18 105.947 178.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.1 mt -135.37 155.53 50.42 Favored 'General case' 0 C--O 1.207 -1.17 0 CA-C-O 118.083 -0.961 . . . . 13.17 110.089 -179.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -111.51 115.46 29.24 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 128.577 3.673 . . . . 16.29 102.436 175.763 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.8 m -123.11 166.91 17.37 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 O-C-N 125.184 1.552 . . . . 11.1 110.049 -178.129 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -96.81 144.06 27.2 Favored Pre-proline 0 N--CA 1.483 1.177 0 N-CA-C 105.927 -1.879 . . . . 19.74 105.927 173.102 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -52.06 -35.48 61.88 Favored 'Trans proline' 0 C--O 1.266 1.904 0 C-N-CA 124.119 3.213 . . . . 11.46 114.325 179.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.317 25.5 m -89.1 0.43 56.72 Favored 'General case' 0 C--O 1.243 0.745 0 N-CA-C 116.494 2.035 . . . . 16.18 116.494 178.343 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -57.54 143.4 41.02 Favored 'General case' 0 C--N 1.308 -1.221 0 O-C-N 119.562 -1.961 . . . . 17.67 107.933 -179.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 47.4 p -77.45 162.53 27.12 Favored 'General case' 0 C--O 1.277 2.546 1 O-C-N 129.47 4.231 . . . . 11.26 104.022 177.951 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.6 mm -64.18 -34.13 66.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 126.927 2.642 . . . . 13.83 109.046 177.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -32.93 71.37 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-O 125.247 2.451 . . . . 24.02 109.973 -179.487 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -66.54 -43.59 84.73 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 119.404 -2.06 . . . . 19.0 112.612 -179.859 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.8 t -60.25 -42.75 91.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 N-CA-C 107.207 -1.405 . . . . 11.8 107.207 177.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -60.41 -46.31 90.46 Favored 'General case' 0 C--O 1.258 1.515 0 CA-C-N 113.438 -1.71 . . . . 16.22 108.234 179.475 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.83 -32.0 73.12 Favored 'General case' 0 N--CA 1.502 2.171 0 C-N-CA 116.876 -1.93 . . . . 11.54 109.363 -179.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LYS . . . . . 0.633 ' NZ ' ' O ' ' A' ' 208' ' ' HOH . 16.8 mttp -71.85 -30.17 65.16 Favored 'General case' 0 C--O 1.258 1.512 0 C-N-CA 119.731 -0.788 . . . . 18.23 111.84 178.987 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 14.8 mt -72.36 -38.04 59.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 118.378 -1.329 . . . . 7.97 107.802 178.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -63.91 -46.38 85.11 Favored 'General case' 0 C--O 1.266 1.949 0 O-C-N 125.184 1.552 . . . . 16.3 108.159 -177.815 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -45.04 -51.53 9.93 Favored 'General case' 0 C--N 1.31 -1.139 0 O-C-N 126.175 2.172 . . . . 16.07 109.44 176.891 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -79.49 -55.39 5.08 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 116.938 2.199 . . . . 18.14 116.938 -177.703 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -97.29 -24.07 15.84 Favored 'General case' 0 C--O 1.248 1.013 0 N-CA-C 116.014 1.857 . . . . 21.78 116.014 -176.153 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.23 9.53 67.18 Favored Glycine 0 CA--C 1.529 0.951 0 CA-C-O 115.808 -2.662 . . . . 13.73 112.49 -179.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 21.2 mt -82.08 117.37 68.11 Favored Pre-proline 0 C--O 1.25 1.119 0 CA-C-N 119.503 1.651 . . . . 14.06 106.942 177.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -57.03 131.22 44.08 Favored 'Trans proline' 0 C--N 1.318 -1.061 0 C-N-CA 123.19 2.594 . . . . 13.03 112.315 179.378 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -47.55 -39.17 29.23 Favored 'Trans proline' 0 C--O 1.243 0.728 0 C-N-CA 122.674 2.25 . . . . 12.7 112.553 -178.083 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -59.4 -27.55 66.11 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.214 -0.903 . . . . 15.52 113.365 -179.556 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -85.06 -11.15 55.95 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 126.477 2.36 . . . . 25.38 111.415 -177.163 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -100.0 144.95 28.44 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 116.728 2.122 . . . . 12.06 116.728 -176.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 84.9 mmt-85 -130.7 115.39 16.61 Favored 'General case' 0 C--O 1.258 1.534 0 C-N-CA 129.004 2.922 . . . . 14.72 105.493 175.932 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.2 mt -102.17 145.11 29.84 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 106.215 -1.772 . . . . 10.71 106.215 -179.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 mt -134.76 139.12 48.19 Favored 'Isoleucine or valine' 0 C--O 1.242 0.705 0 O-C-N 128.933 3.896 . . . . 10.4 112.843 -177.421 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -136.09 133.23 37.09 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 105.762 -1.94 . . . . 11.21 105.762 177.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.44 49.88 17.39 Favored 'General case' 0 C--N 1.282 -2.329 0 O-C-N 124.638 1.211 . . . . 15.39 110.648 179.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.43 -2.72 5.36 Favored Glycine 0 C--O 1.258 1.649 0 CA-C-O 116.345 -2.364 . . . . 13.71 114.279 -179.825 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -111.16 150.54 29.33 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-O 127.148 3.356 . . . . 21.94 115.449 177.952 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.34 133.26 41.28 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 112.187 -2.278 . . . . 16.08 108.071 176.905 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.2 mt -96.64 146.64 24.67 Favored 'General case' 0 C--O 1.203 -1.394 0 C-N-CA 124.355 1.062 . . . . 13.57 113.045 -178.527 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.4 145.29 26.31 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 121.445 -0.785 . . . . 22.93 112.738 179.47 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -48.93 -53.26 20.39 Favored 'General case' 0 C--O 1.257 1.491 0 O-C-N 128.04 3.337 . . . . 18.93 117.876 -176.603 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.04 -10.31 86.28 Favored Glycine 0 C--O 1.259 1.659 0 CA-C-O 115.256 -2.969 . . . . 15.73 116.908 -176.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.2 mtt-85 -85.89 163.27 18.17 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 120.02 1.91 . . . . 23.14 111.367 178.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.9 p -101.86 159.7 15.12 Favored 'General case' 0 C--O 1.246 0.877 0 CA-C-O 122.343 1.068 . . . . 12.77 111.741 179.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.19 -38.22 68.08 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 113.065 -1.88 . . . . 13.08 109.403 175.632 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.8 p -65.79 -39.3 90.82 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-O 116.829 -1.557 . . . . 16.04 110.76 -177.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -54.09 -39.29 66.21 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 125.866 1.978 . . . . 9.5 110.935 178.59 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -88.84 5.06 45.51 Favored 'General case' 0 N--CA 1.429 -1.484 0 CA-C-O 114.729 -2.558 . . . . 14.34 114.222 179.089 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.8 t30 63.18 28.23 15.85 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 126.411 2.319 . . . . 13.23 112.871 -179.791 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 65.0 mt -86.1 109.42 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 119.286 -2.134 . . . . 15.59 106.156 177.715 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -106.85 -179.78 4.04 Favored 'General case' 0 C--N 1.308 -1.198 0 C-N-CA 129.812 3.245 . . . . 18.1 113.286 -176.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.61 142.3 11.18 Favored 'General case' 0 CA--C 1.507 -0.676 0 O-C-N 125.556 1.785 . . . . 15.83 109.825 -176.703 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 64.18 15.97 9.71 Favored 'General case' 0 N--CA 1.437 -1.084 0 CA-C-O 114.54 -2.647 . . . . 15.19 116.778 -179.309 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.3 m -75.17 161.26 29.52 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 125.753 1.908 . . . . 12.31 110.068 -179.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.5 m -115.71 130.1 56.73 Favored 'General case' 0 C--O 1.245 0.855 0 CA-C-O 116.168 -1.872 . . . . 14.96 107.015 178.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.4 mt -114.46 162.64 16.42 Favored 'General case' 0 CA--C 1.568 1.653 0 O-C-N 128.451 3.594 . . . . 14.67 102.314 177.062 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -119.08 152.89 35.68 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 104.586 -2.376 . . . . 13.6 104.586 177.541 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.8 tp -122.25 133.86 54.69 Favored 'General case' 0 C--N 1.293 -1.851 0 O-C-N 128.896 3.872 . . . . 10.1 106.007 178.318 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 t -129.53 146.54 34.03 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.193 0 C-N-CA 130.365 3.466 . . . . 15.93 104.557 177.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.3 mt -103.58 145.49 29.95 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-O 116.354 -1.784 . . . . 20.22 107.564 179.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.4 90.69 3.37 Favored 'General case' 0 CA--C 1.562 1.414 1 O-C-N 129.752 4.408 . . . . 27.7 101.302 177.144 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.61 141.62 35.72 Favored 'General case' 0 C--N 1.288 -2.082 0 O-C-N 126.537 2.398 . . . . 28.75 115.433 -178.712 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.9 tpp180 -45.53 130.66 8.76 Favored 'General case' 0 C--O 1.247 0.94 0 O-C-N 117.987 -2.945 . . . . 42.86 116.23 178.492 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.99 44.45 67.49 Favored Glycine 0 C--O 1.275 2.684 0 N-CA-C 117.579 1.792 . . . . 34.69 117.579 177.203 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.727 0 N-CA-C 106.043 -2.823 . . . . 33.51 106.043 -177.018 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.6 ptt? . . . . . 0 CA--C 1.538 0.516 0 N-CA-C 107.139 -1.43 . . . . 12.11 107.139 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' GLN . . . . . 0.607 ' OE1' ' OE2' ' B' ' 64' ' ' GLU . 41.4 tt0 -96.42 127.8 42.75 Favored 'General case' 0 C--O 1.247 0.932 0 CA-C-N 112.683 -2.053 . . . . 17.38 112.229 -178.495 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 19.1 pt -128.79 163.23 34.1 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.045 0 CA-C-O 115.788 -2.053 . . . . 12.8 107.171 174.495 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -118.83 147.43 43.95 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 107.296 -1.372 . . . . 13.48 107.296 176.537 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 54.7 t -122.38 111.15 29.17 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 O-C-N 127.533 3.021 . . . . 11.96 103.486 176.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.1 136.51 40.84 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 126.225 2.203 . . . . 19.13 107.592 -177.835 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 44.4 p -86.06 164.21 17.46 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 105.903 -1.888 . . . . 14.69 105.903 177.132 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.56 -0.3 32.94 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 115.108 -2.637 . . . . 17.15 108.195 178.574 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 52.5 p -115.64 32.06 6.32 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 117.236 2.31 . . . . 19.18 117.236 -179.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.85 25.54 66.87 Favored Glycine 0 CA--C 1.48 -2.105 1 N-CA-C 125.0 4.76 . . . . 19.35 125.0 176.111 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 13.5 tttm -119.77 126.28 50.65 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 118.862 1.331 . . . . 25.76 111.885 179.284 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 25.6 m -101.91 125.78 48.66 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-O 125.115 2.388 . . . . 14.42 109.608 176.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 55.0 mt -104.63 123.34 58.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 104.252 -2.499 . . . . 13.95 104.252 176.495 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 17.4 m -96.04 128.36 42.87 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 117.554 -1.212 . . . . 18.17 108.206 176.49 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 94.4 mt -130.5 155.75 45.95 Favored 'General case' 0 CA--C 1.556 1.178 0 CA-C-N 120.595 1.543 . . . . 13.1 110.195 -179.155 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -115.51 114.84 25.53 Favored 'General case' 0 C--N 1.291 -1.943 0 N-CA-C 102.59 -3.115 . . . . 14.99 102.59 176.528 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 27.5 m -132.69 171.01 18.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 O-C-N 125.087 1.492 . . . . 10.68 107.9 -176.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -102.29 139.73 20.51 Favored Pre-proline 0 C--N 1.31 -1.141 0 O-C-N 127.39 2.931 . . . . 23.71 104.906 176.578 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -52.1 -17.96 6.56 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 123.877 3.051 . . . . 11.44 113.287 178.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 3.2 p -103.52 2.55 33.7 Favored 'General case' 0 N--CA 1.481 1.125 0 O-C-N 119.857 -1.777 . . . . 17.85 112.571 -177.489 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -63.11 141.42 58.77 Favored 'General case' 0 C--N 1.311 -1.104 0 O-C-N 125.265 1.603 . . . . 15.25 108.398 179.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 25.1 p -78.23 168.01 20.51 Favored 'General case' 0 C--O 1.271 2.187 0 O-C-N 128.032 3.332 . . . . 10.45 103.805 177.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 47.2 mm -68.34 -29.7 45.16 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.331 0 O-C-N 127.032 2.708 . . . . 13.21 109.869 178.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -71.92 -26.92 62.49 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 118.448 -2.657 . . . . 23.03 111.075 179.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -73.23 -34.11 65.7 Favored 'General case' 0 N--CA 1.485 1.299 0 O-C-N 116.851 -3.656 . . . . 22.19 111.433 178.07 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 42.0 t -68.41 -40.0 81.62 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 N-CA-C 107.352 -1.351 . . . . 10.46 107.352 178.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -63.43 -40.14 96.37 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-O 122.102 0.953 . . . . 18.26 108.658 176.214 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.14 -38.42 90.99 Favored 'General case' 0 N--CA 1.514 2.755 0 C-N-CA 117.517 -1.673 . . . . 10.29 106.652 -179.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LYS . . . . . 0.433 ' NZ ' ' O ' ' B' ' 213' ' ' HOH . 83.6 mttt -66.97 -39.43 87.2 Favored 'General case' 0 C--O 1.271 2.23 0 CA-C-O 117.34 -1.314 . . . . 13.99 111.781 179.212 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 5.2 mt -63.93 -42.51 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.153 0 N-CA-C 107.607 -1.257 . . . . 11.26 107.607 178.339 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -58.9 -48.97 79.57 Favored 'General case' 0 C--O 1.248 0.999 0 CA-C-O 118.457 -0.782 . . . . 12.17 110.39 179.315 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -51.81 -41.65 61.89 Favored 'General case' 0 C--N 1.311 -1.069 0 O-C-N 125.955 2.034 . . . . 16.72 110.376 -179.11 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.0 tptm -90.61 -43.58 10.08 Favored 'General case' 0 C--O 1.257 1.46 0 CA-C-N 113.46 -1.7 . . . . 20.93 115.237 -176.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -108.22 -9.26 15.55 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 116.651 -1.642 . . . . 24.29 113.806 -178.137 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.56 9.7 86.04 Favored Glycine 0 C--O 1.256 1.52 0 N-CA-C 115.98 1.152 . . . . 15.88 115.98 -179.429 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 29.2 mt -82.05 118.68 72.94 Favored Pre-proline 0 N--CA 1.442 -0.869 0 O-C-N 120.121 -1.811 . . . . 15.62 109.085 178.754 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -51.84 135.12 49.82 Favored 'Trans proline' 0 C--N 1.323 -0.783 0 C-N-CA 124.311 3.341 . . . . 13.84 112.664 178.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.84 -31.87 82.72 Favored 'Trans proline' 0 C--N 1.317 -1.106 0 C-N-CA 123.507 2.805 . . . . 14.03 112.308 -178.031 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -67.41 -27.66 67.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 115.525 -2.179 . . . . 18.6 113.43 179.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -92.0 2.75 56.36 Favored 'General case' 0 C--N 1.284 -2.277 0 O-C-N 127.867 3.229 . . . . 22.06 110.813 -178.843 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -103.29 137.63 41.16 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 124.163 1.935 . . . . 13.01 115.984 -179.036 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 85.6 mmt-85 -126.89 120.61 29.61 Favored 'General case' 0 C--O 1.261 1.693 0 N-CA-C 104.497 -2.409 . . . . 11.02 104.497 175.212 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.64 138.13 40.72 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 116.851 -1.547 . . . . 13.89 108.727 -177.971 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -128.4 136.21 60.61 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.151 1 O-C-N 130.591 4.932 . . . . 10.22 113.42 -178.941 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -132.34 125.84 31.85 Favored 'General case' 0 CA--C 1.567 1.615 0 C-N-CA 128.592 2.757 . . . . 11.33 106.736 176.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 51.6 42.74 29.85 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 128.009 3.318 . . . . 15.09 114.179 175.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.38 2.09 89.05 Favored Glycine 0 C--O 1.26 1.76 0 C-N-CA 130.527 3.917 . . . . 15.85 116.391 176.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . 0.307 0.1 OUTLIER -123.21 146.3 47.92 Favored 'General case' 0 C--O 1.263 1.768 0 C-N-CA 116.086 -2.246 . . . . 29.78 112.41 179.862 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -76.54 138.89 40.49 Favored 'General case' 0 C--O 1.244 0.764 0 CA-C-N 114.036 -1.438 . . . . 17.97 111.851 179.889 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.25 143.17 26.52 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 118.183 2.66 . . . . 13.19 118.183 -177.324 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.8 129.1 37.83 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 119.767 -1.833 . . . . 29.24 109.401 179.388 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -45.24 -35.0 3.1 Favored 'General case' 0 C--N 1.305 -1.349 0 C-N-CA 130.043 3.337 . . . . 17.94 117.655 179.738 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.0 0.43 69.33 Favored Glycine 0 N--CA 1.446 -0.647 0 N-CA-C 117.496 1.758 . . . . 12.82 117.496 -176.653 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -100.15 161.8 13.37 Favored 'General case' 0 C--O 1.25 1.083 0 N-CA-C 105.601 -2.0 . . . . 28.63 105.601 178.207 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 24.9 p -95.17 165.55 12.35 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-O 125.215 2.436 . . . . 10.7 110.794 177.926 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 67.6 mt -57.43 -44.63 84.85 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 111.902 -2.408 . . . . 14.01 106.443 177.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . 0.266 51.3 p -62.54 -31.49 72.28 Favored 'General case' 0 C--O 1.258 1.509 0 O-C-N 125.002 1.439 . . . . 17.62 114.818 -177.725 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -62.36 -27.78 69.31 Favored 'General case' 0 CA--C 1.57 1.72 0 C-N-CA 124.413 1.085 . . . . 16.07 109.529 177.211 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -99.84 5.47 45.45 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 115.778 -2.058 . . . . 16.78 112.313 -179.193 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 66.8 t30 60.9 40.09 16.0 Favored 'General case' 0 C--N 1.309 -1.194 0 O-C-N 128.17 3.419 . . . . 16.1 110.455 -179.81 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 65.6 mt -87.47 110.49 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 N-CA-C 103.568 -2.752 . . . . 14.0 103.568 179.319 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -104.87 179.22 4.34 Favored 'General case' 0 C--O 1.246 0.871 0 CA-C-O 122.029 0.919 . . . . 12.95 110.874 179.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -50.22 142.03 10.52 Favored 'General case' 0 C--N 1.306 -1.32 0 C-N-CA 125.776 1.631 . . . . 18.46 108.417 -177.944 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' GLU . . . . . 0.607 ' OE2' ' OE1' ' B' ' 2' ' ' GLN . 0.0 OUTLIER 65.55 21.38 11.74 Favored 'General case' 0 C--N 1.28 -2.453 0 O-C-N 127.214 2.821 . . . . 17.92 113.887 178.492 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 71.6 m -79.13 162.39 25.84 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 128.253 3.471 . . . . 11.49 108.012 -178.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 55.1 m -118.12 132.1 56.37 Favored 'General case' 0 C--N 1.318 -0.784 0 O-C-N 125.923 2.015 . . . . 13.78 106.504 177.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.1 mt -114.56 164.04 14.56 Favored 'General case' 0 CA--C 1.555 1.17 1 O-C-N 131.471 5.482 . . . . 13.39 101.397 178.633 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' HIS . . . . . 0.555 ' CD2' ' O ' ' B' ' 207' ' ' HOH . 98.0 m-70 -123.97 155.53 38.03 Favored 'General case' 0 C--N 1.29 -2.017 0 N-CA-C 103.327 -2.842 . . . . 12.45 103.327 179.252 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 51.5 tp -128.57 129.54 46.11 Favored 'General case' 0 C--N 1.285 -2.232 0 O-C-N 126.434 2.334 . . . . 11.67 109.21 -179.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 21.8 m -126.32 151.08 32.41 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 126.779 2.55 . . . . 12.44 104.956 174.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 5.6 mt -100.1 140.45 34.31 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 106.857 -1.534 . . . . 16.33 106.857 177.705 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . 0.438 0.0 OUTLIER -111.91 92.86 4.19 Favored 'General case' 0 CA--C 1.591 2.538 1 N-CA-C 97.21 -5.107 . . . . 29.3 97.21 171.852 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.34 151.24 20.11 Favored 'General case' 0 C--O 1.249 1.061 1 O-C-N 129.301 4.126 . . . . 25.72 113.145 -177.376 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . 0.389 0.0 OUTLIER -138.04 -65.02 0.52 Allowed 'General case' 0 C--O 1.257 1.448 0 C-N-CA 115.113 -2.635 . . . . 32.01 115.269 177.197 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -95.05 -168.67 36.24 Favored Glycine 0 CA--C 1.498 -1.009 0 N-CA-C 119.516 2.566 . . . . 31.36 119.516 -177.279 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.268 2.223 0 CA-C-O 118.547 -1.141 . . . . 32.98 114.506 179.609 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . 0.633 ' O ' ' NZ ' ' A' ' 29' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 207' ' ' HOH . . . . . 0.555 ' O ' ' CD2' ' B' ' 68' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 213' ' ' HOH . . . . . 0.433 ' O ' ' NZ ' ' B' ' 29' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.0 ptt? . . . . . 0 C--O 1.246 0.908 0 CA-C-O 123.946 1.831 . . . . 10.33 107.027 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -97.29 127.16 43.01 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 126.799 2.039 . . . . 18.67 112.145 -178.506 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.6 pt -131.39 138.66 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 O-C-N 126.938 2.648 . . . . 13.21 110.099 173.594 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' PHE . . . . . 0.548 ' HD1' HG22 ' A' ' 14' ' ' THR . 13.7 m-85 -89.57 139.89 30.09 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 108.171 -1.048 . . . . 16.94 108.171 174.547 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.4 t -118.71 107.98 23.0 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.428 0 N-CA-C 102.393 -3.188 . . . . 15.41 102.393 175.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 61.5 mttp -101.76 132.6 47.4 Favored 'General case' 0 C--N 1.287 -2.133 0 O-C-N 126.63 2.456 . . . . 20.95 111.824 -179.101 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' THR . . . . . 0.523 HG23 ' H ' ' A' ' 9' ' ' THR 0.282 0.8 OUTLIER -83.3 154.2 24.24 Favored 'General case' 0 C--O 1.269 2.129 0 CA-C-N 111.203 -2.726 . . . . 20.35 106.723 178.009 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 mt -78.78 -19.57 51.89 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 125.982 2.051 . . . . 21.54 109.284 179.954 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' THR . . . . . 0.523 ' H ' HG23 ' A' ' 7' ' ' THR . 68.5 p -87.27 15.54 6.23 Favored 'General case' 0 C--O 1.252 1.201 0 C-N-CA 125.979 1.711 . . . . 21.16 112.887 177.979 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLY . . . . . 0.432 ' N ' HG22 ' A' ' 7' ' ' THR . . . 113.59 -63.2 0.3 Allowed Glycine 0 C--O 1.275 2.661 1 N-CA-C 124.392 4.517 . . . . 22.8 124.392 176.394 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.92 130.6 44.36 Favored 'General case' 0 C--N 1.287 -2.125 0 C-N-CA 131.293 3.837 . . . . 20.99 120.803 -177.928 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.5 m -98.31 129.57 45.0 Favored 'General case' 0 C--O 1.244 0.815 0 CA-C-O 125.809 2.719 . . . . 16.57 110.658 177.915 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 23.9 mt -110.98 124.34 67.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 N-CA-C 104.893 -2.262 . . . . 17.67 104.893 178.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' THR . . . . . 0.548 HG22 ' HD1' ' A' ' 4' ' ' PHE . 34.9 p -100.7 134.73 43.24 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 105.947 -1.872 . . . . 18.18 105.947 178.925 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.1 mt -135.37 155.53 50.42 Favored 'General case' 0 C--O 1.207 -1.17 0 CA-C-O 118.083 -0.961 . . . . 13.17 110.089 -179.01 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -111.51 115.46 29.24 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 128.577 3.673 . . . . 16.29 102.436 175.763 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.8 m -123.11 166.91 17.37 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 O-C-N 125.184 1.552 . . . . 11.1 110.049 -178.129 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -96.81 144.06 27.2 Favored Pre-proline 0 N--CA 1.483 1.177 0 N-CA-C 105.927 -1.879 . . . . 19.74 105.927 173.102 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -52.06 -35.48 61.88 Favored 'Trans proline' 0 C--O 1.266 1.904 0 C-N-CA 124.119 3.213 . . . . 11.46 114.325 179.663 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.317 25.5 m -89.1 0.43 56.72 Favored 'General case' 0 C--O 1.243 0.745 0 N-CA-C 116.494 2.035 . . . . 16.18 116.494 178.343 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -57.54 143.4 41.02 Favored 'General case' 0 C--N 1.308 -1.221 0 O-C-N 119.562 -1.961 . . . . 17.67 107.933 -179.085 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 47.4 p -77.45 162.53 27.12 Favored 'General case' 0 C--O 1.277 2.546 1 O-C-N 129.47 4.231 . . . . 11.26 104.022 177.951 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.6 mm -64.18 -34.13 66.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 126.927 2.642 . . . . 13.83 109.046 177.611 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -32.93 71.37 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-O 125.247 2.451 . . . . 24.02 109.973 -179.487 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -66.54 -43.59 84.73 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 119.404 -2.06 . . . . 19.0 112.612 -179.859 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.8 t -60.25 -42.75 91.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 N-CA-C 107.207 -1.405 . . . . 11.8 107.207 177.829 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -60.41 -46.31 90.46 Favored 'General case' 0 C--O 1.258 1.515 0 CA-C-N 113.438 -1.71 . . . . 16.22 108.234 179.475 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.83 -32.0 73.12 Favored 'General case' 0 N--CA 1.502 2.171 0 C-N-CA 116.876 -1.93 . . . . 11.54 109.363 -179.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -71.85 -30.17 65.16 Favored 'General case' 0 C--O 1.258 1.512 0 C-N-CA 119.731 -0.788 . . . . 18.23 111.84 178.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 14.8 mt -72.36 -38.04 59.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 118.378 -1.329 . . . . 7.97 107.802 178.285 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -63.91 -46.38 85.11 Favored 'General case' 0 C--O 1.266 1.949 0 O-C-N 125.184 1.552 . . . . 16.3 108.159 -177.815 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -45.04 -51.53 9.93 Favored 'General case' 0 C--N 1.31 -1.139 0 O-C-N 126.175 2.172 . . . . 16.07 109.44 176.891 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -79.49 -55.39 5.08 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 116.938 2.199 . . . . 18.14 116.938 -177.703 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -97.29 -24.07 15.84 Favored 'General case' 0 C--O 1.248 1.013 0 N-CA-C 116.014 1.857 . . . . 21.78 116.014 -176.153 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.23 9.53 67.18 Favored Glycine 0 CA--C 1.529 0.951 0 CA-C-O 115.808 -2.662 . . . . 13.73 112.49 -179.652 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 21.2 mt -82.08 117.37 68.11 Favored Pre-proline 0 C--O 1.25 1.119 0 CA-C-N 119.503 1.651 . . . . 14.06 106.942 177.804 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -57.03 131.22 44.08 Favored 'Trans proline' 0 C--N 1.318 -1.061 0 C-N-CA 123.19 2.594 . . . . 13.03 112.315 179.378 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -47.55 -39.17 29.23 Favored 'Trans proline' 0 C--O 1.243 0.728 0 C-N-CA 122.674 2.25 . . . . 12.7 112.553 -178.083 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -59.4 -27.55 66.11 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.214 -0.903 . . . . 15.52 113.365 -179.556 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLN . . . . . 0.648 ' HG3' HD13 ' A' ' 73' ' ' LEU . 2.2 mp0 -85.06 -11.15 55.95 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 126.477 2.36 . . . . 25.38 111.415 -177.163 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -100.0 144.95 28.44 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 116.728 2.122 . . . . 12.06 116.728 -176.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ARG . . . . . 0.465 ' NH2' ' HG3' ' A' ' 72' ' ' ARG . 84.9 mmt-85 -130.7 115.39 16.61 Favored 'General case' 0 C--O 1.258 1.534 0 C-N-CA 129.004 2.922 . . . . 14.72 105.493 175.932 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.2 mt -102.17 145.11 29.84 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 106.215 -1.772 . . . . 10.71 106.215 -179.967 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ILE . . . . . 0.447 ' HA ' ' O ' ' A' ' 48' ' ' LYS . 4.8 mt -134.76 139.12 48.19 Favored 'Isoleucine or valine' 0 C--O 1.242 0.705 0 O-C-N 128.933 3.896 . . . . 10.4 112.843 -177.421 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -136.09 133.23 37.09 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 105.762 -1.94 . . . . 11.21 105.762 177.483 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.44 49.88 17.39 Favored 'General case' 0 C--N 1.282 -2.329 0 O-C-N 124.638 1.211 . . . . 15.39 110.648 179.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.43 -2.72 5.36 Favored Glycine 0 C--O 1.258 1.649 0 CA-C-O 116.345 -2.364 . . . . 13.71 114.279 -179.825 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 44' ' ' ILE . 1.0 OUTLIER -111.16 150.54 29.33 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-O 127.148 3.356 . . . . 21.94 115.449 177.952 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -75.34 133.26 41.28 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 112.187 -2.278 . . . . 16.08 108.071 176.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.2 mt -96.64 146.64 24.67 Favored 'General case' 0 C--O 1.203 -1.394 0 C-N-CA 124.355 1.062 . . . . 13.57 113.045 -178.527 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.4 145.29 26.31 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 121.445 -0.785 . . . . 22.93 112.738 179.47 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -48.93 -53.26 20.39 Favored 'General case' 0 C--O 1.257 1.491 0 O-C-N 128.04 3.337 . . . . 18.93 117.876 -176.603 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.04 -10.31 86.28 Favored Glycine 0 C--O 1.259 1.659 0 CA-C-O 115.256 -2.969 . . . . 15.73 116.908 -176.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.2 mtt-85 -85.89 163.27 18.17 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 120.02 1.91 . . . . 23.14 111.367 178.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.9 p -101.86 159.7 15.12 Favored 'General case' 0 C--O 1.246 0.877 0 CA-C-O 122.343 1.068 . . . . 12.77 111.741 179.712 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.19 -38.22 68.08 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 113.065 -1.88 . . . . 13.08 109.403 175.632 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.8 p -65.79 -39.3 90.82 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-O 116.829 -1.557 . . . . 16.04 110.76 -177.627 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -54.09 -39.29 66.21 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 125.866 1.978 . . . . 9.5 110.935 178.59 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -88.84 5.06 45.51 Favored 'General case' 0 N--CA 1.429 -1.484 0 CA-C-O 114.729 -2.558 . . . . 14.34 114.222 179.089 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.8 t30 63.18 28.23 15.85 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 126.411 2.319 . . . . 13.23 112.871 -179.791 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 65.0 mt -86.1 109.42 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 119.286 -2.134 . . . . 15.59 106.156 177.715 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' GLN . . . . . 0.516 ' HB3' ' HE3' ' A' ' 63' ' ' LYS . 80.5 mt-30 -106.85 -179.78 4.04 Favored 'General case' 0 C--N 1.308 -1.198 0 C-N-CA 129.812 3.245 . . . . 18.1 113.286 -176.765 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' LYS . . . . . 0.957 ' H ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -50.61 142.3 11.18 Favored 'General case' 0 CA--C 1.507 -0.676 0 O-C-N 125.556 1.785 . . . . 15.83 109.825 -176.703 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 64.18 15.97 9.71 Favored 'General case' 0 N--CA 1.437 -1.084 0 CA-C-O 114.54 -2.647 . . . . 15.19 116.778 -179.309 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.3 m -75.17 161.26 29.52 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 125.753 1.908 . . . . 12.31 110.068 -179.834 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.5 m -115.71 130.1 56.73 Favored 'General case' 0 C--O 1.245 0.855 0 CA-C-O 116.168 -1.872 . . . . 14.96 107.015 178.941 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.4 mt -114.46 162.64 16.42 Favored 'General case' 0 CA--C 1.568 1.653 0 O-C-N 128.451 3.594 . . . . 14.67 102.314 177.062 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' HIS . . . . . 0.437 ' HA ' ' O ' ' A' ' 6' ' ' LYS . 63.6 m80 -119.08 152.89 35.68 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 104.586 -2.376 . . . . 13.6 104.586 177.541 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.8 tp -122.25 133.86 54.69 Favored 'General case' 0 C--N 1.293 -1.851 0 O-C-N 128.896 3.872 . . . . 10.1 106.007 178.318 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' VAL . . . . . 0.506 ' CG1' HD12 ' B' ' 44' ' ' ILE . 2.4 t -129.53 146.54 34.03 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.193 0 C-N-CA 130.365 3.466 . . . . 15.93 104.557 177.887 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.3 mt -103.58 145.49 29.95 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-O 116.354 -1.784 . . . . 20.22 107.564 179.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ARG . . . . . 0.465 ' HG3' ' NH2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -120.4 90.69 3.37 Favored 'General case' 0 CA--C 1.562 1.414 1 O-C-N 129.752 4.408 . . . . 27.7 101.302 177.144 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 73' ' ' LEU . . . . . 0.648 HD13 ' HG3' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -103.61 141.62 35.72 Favored 'General case' 0 C--N 1.288 -2.082 0 O-C-N 126.537 2.398 . . . . 28.75 115.433 -178.712 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.9 tpp180 -45.53 130.66 8.76 Favored 'General case' 0 C--O 1.247 0.94 0 O-C-N 117.987 -2.945 . . . . 42.86 116.23 178.492 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.99 44.45 67.49 Favored Glycine 0 C--O 1.275 2.684 0 N-CA-C 117.579 1.792 . . . . 34.69 117.579 177.203 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' GLY . . . . . 0.655 ' HA3' ' OH ' ' B' ' 59' ' ' TYR . . . . . . . . 0 N--CA 1.482 1.727 0 N-CA-C 106.043 -2.823 . . . . 33.51 106.043 -177.018 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.6 ptt? . . . . . 0 CA--C 1.538 0.516 0 N-CA-C 107.139 -1.43 . . . . 12.11 107.139 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' GLN . . . . . 0.757 ' NE2' ' OE2' ' B' ' 64' ' ' GLU . 11.5 tt0 -96.42 127.8 42.75 Favored 'General case' 0 C--O 1.247 0.932 0 CA-C-N 112.683 -2.053 . . . . 17.38 112.229 -178.495 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 19.1 pt -128.79 163.23 34.1 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.045 0 CA-C-O 115.788 -2.053 . . . . 12.8 107.171 174.495 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -118.83 147.43 43.95 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 107.296 -1.372 . . . . 13.48 107.296 176.537 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' VAL . . . . . 0.415 HG22 ' HB2' ' B' ' 67' ' ' LEU . 54.7 t -122.38 111.15 29.17 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 O-C-N 127.533 3.021 . . . . 11.96 103.486 176.7 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.1 136.51 40.84 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 126.225 2.203 . . . . 19.13 107.592 -177.835 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 44.4 p -86.06 164.21 17.46 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 105.903 -1.888 . . . . 14.69 105.903 177.132 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.56 -0.3 32.94 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 115.108 -2.637 . . . . 17.15 108.195 178.574 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 52.5 p -115.64 32.06 6.32 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 117.236 2.31 . . . . 19.18 117.236 -179.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.85 25.54 66.87 Favored Glycine 0 CA--C 1.48 -2.105 1 N-CA-C 125.0 4.76 . . . . 19.35 125.0 176.111 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 11' ' ' LYS . . . . . 0.609 ' NZ ' HD11 ' B' ' 13' ' ' ILE . 13.5 tttm -119.77 126.28 50.65 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 118.862 1.331 . . . . 25.76 111.885 179.284 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 25.6 m -101.91 125.78 48.66 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-O 125.115 2.388 . . . . 14.42 109.608 176.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ILE . . . . . 0.609 HD11 ' NZ ' ' B' ' 11' ' ' LYS . 55.0 mt -104.63 123.34 58.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 104.252 -2.499 . . . . 13.95 104.252 176.495 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 17.4 m -96.04 128.36 42.87 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 117.554 -1.212 . . . . 18.17 108.206 176.49 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 94.4 mt -130.5 155.75 45.95 Favored 'General case' 0 CA--C 1.556 1.178 0 CA-C-N 120.595 1.543 . . . . 13.1 110.195 -179.155 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -115.51 114.84 25.53 Favored 'General case' 0 C--N 1.291 -1.943 0 N-CA-C 102.59 -3.115 . . . . 14.99 102.59 176.528 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 27.5 m -132.69 171.01 18.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 O-C-N 125.087 1.492 . . . . 10.68 107.9 -176.586 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -102.29 139.73 20.51 Favored Pre-proline 0 C--N 1.31 -1.141 0 O-C-N 127.39 2.931 . . . . 23.71 104.906 176.578 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -52.1 -17.96 6.56 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 123.877 3.051 . . . . 11.44 113.287 178.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 3.2 p -103.52 2.55 33.7 Favored 'General case' 0 N--CA 1.481 1.125 0 O-C-N 119.857 -1.777 . . . . 17.85 112.571 -177.489 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -63.11 141.42 58.77 Favored 'General case' 0 C--N 1.311 -1.104 0 O-C-N 125.265 1.603 . . . . 15.25 108.398 179.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 25.1 p -78.23 168.01 20.51 Favored 'General case' 0 C--O 1.271 2.187 0 O-C-N 128.032 3.332 . . . . 10.45 103.805 177.711 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 47.2 mm -68.34 -29.7 45.16 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.331 0 O-C-N 127.032 2.708 . . . . 13.21 109.869 178.946 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -71.92 -26.92 62.49 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 118.448 -2.657 . . . . 23.03 111.075 179.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ASN . . . . . 0.568 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 1.1 t30 -73.23 -34.11 65.7 Favored 'General case' 0 N--CA 1.485 1.299 0 O-C-N 116.851 -3.656 . . . . 22.19 111.433 178.07 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 42.0 t -68.41 -40.0 81.62 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 N-CA-C 107.352 -1.351 . . . . 10.46 107.352 178.921 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -63.43 -40.14 96.37 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-O 122.102 0.953 . . . . 18.26 108.658 176.214 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.14 -38.42 90.99 Favored 'General case' 0 N--CA 1.514 2.755 0 C-N-CA 117.517 -1.673 . . . . 10.29 106.652 -179.142 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LYS . . . . . 0.568 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 83.6 mttt -66.97 -39.43 87.2 Favored 'General case' 0 C--O 1.271 2.23 0 CA-C-O 117.34 -1.314 . . . . 13.99 111.781 179.212 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 5.2 mt -63.93 -42.51 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.153 0 N-CA-C 107.607 -1.257 . . . . 11.26 107.607 178.339 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -58.9 -48.97 79.57 Favored 'General case' 0 C--O 1.248 0.999 0 CA-C-O 118.457 -0.782 . . . . 12.17 110.39 179.315 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -51.81 -41.65 61.89 Favored 'General case' 0 C--N 1.311 -1.069 0 O-C-N 125.955 2.034 . . . . 16.72 110.376 -179.11 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.0 tptm -90.61 -43.58 10.08 Favored 'General case' 0 C--O 1.257 1.46 0 CA-C-N 113.46 -1.7 . . . . 20.93 115.237 -176.142 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -108.22 -9.26 15.55 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 116.651 -1.642 . . . . 24.29 113.806 -178.137 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.56 9.7 86.04 Favored Glycine 0 C--O 1.256 1.52 0 N-CA-C 115.98 1.152 . . . . 15.88 115.98 -179.429 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 29.2 mt -82.05 118.68 72.94 Favored Pre-proline 0 N--CA 1.442 -0.869 0 O-C-N 120.121 -1.811 . . . . 15.62 109.085 178.754 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' PRO . . . . . 0.4 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 6.7 Cg_exo -51.84 135.12 49.82 Favored 'Trans proline' 0 C--N 1.323 -0.783 0 C-N-CA 124.311 3.341 . . . . 13.84 112.664 178.358 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 38' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 51.2 Cg_exo -55.84 -31.87 82.72 Favored 'Trans proline' 0 C--N 1.317 -1.106 0 C-N-CA 123.507 2.805 . . . . 14.03 112.308 -178.031 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -67.41 -27.66 67.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 115.525 -2.179 . . . . 18.6 113.43 179.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' GLN . . . . . 0.559 ' O ' ' HA ' ' B' ' 71' ' ' LEU . 60.1 mt-30 -92.0 2.75 56.36 Favored 'General case' 0 C--N 1.284 -2.277 0 O-C-N 127.867 3.229 . . . . 22.06 110.813 -178.843 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -103.29 137.63 41.16 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 124.163 1.935 . . . . 13.01 115.984 -179.036 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' ARG . . . . . 0.642 ' HB2' HG23 ' B' ' 70' ' ' VAL . 85.6 mmt-85 -126.89 120.61 29.61 Favored 'General case' 0 C--O 1.261 1.693 0 N-CA-C 104.497 -2.409 . . . . 11.02 104.497 175.212 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.64 138.13 40.72 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 116.851 -1.547 . . . . 13.89 108.727 -177.971 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 44' ' ' ILE . . . . . 0.506 HD12 ' CG1' ' A' ' 70' ' ' VAL . 1.0 OUTLIER -128.4 136.21 60.61 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.151 1 O-C-N 130.591 4.932 . . . . 10.22 113.42 -178.941 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -132.34 125.84 31.85 Favored 'General case' 0 CA--C 1.567 1.615 0 C-N-CA 128.592 2.757 . . . . 11.33 106.736 176.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 51.6 42.74 29.85 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 128.009 3.318 . . . . 15.09 114.179 175.729 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.38 2.09 89.05 Favored Glycine 0 C--O 1.26 1.76 0 C-N-CA 130.527 3.917 . . . . 15.85 116.391 176.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . 0.307 0.1 OUTLIER -123.21 146.3 47.92 Favored 'General case' 0 C--O 1.263 1.768 0 C-N-CA 116.086 -2.246 . . . . 29.78 112.41 179.862 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -76.54 138.89 40.49 Favored 'General case' 0 C--O 1.244 0.764 0 CA-C-N 114.036 -1.438 . . . . 17.97 111.851 179.889 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.25 143.17 26.52 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 118.183 2.66 . . . . 13.19 118.183 -177.324 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.8 129.1 37.83 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 119.767 -1.833 . . . . 29.24 109.401 179.388 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -45.24 -35.0 3.1 Favored 'General case' 0 C--N 1.305 -1.349 0 C-N-CA 130.043 3.337 . . . . 17.94 117.655 179.738 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.0 0.43 69.33 Favored Glycine 0 N--CA 1.446 -0.647 0 N-CA-C 117.496 1.758 . . . . 12.82 117.496 -176.653 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -100.15 161.8 13.37 Favored 'General case' 0 C--O 1.25 1.083 0 N-CA-C 105.601 -2.0 . . . . 28.63 105.601 178.207 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 24.9 p -95.17 165.55 12.35 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-O 125.215 2.436 . . . . 10.7 110.794 177.926 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 67.6 mt -57.43 -44.63 84.85 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 111.902 -2.408 . . . . 14.01 106.443 177.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . 0.266 51.3 p -62.54 -31.49 72.28 Favored 'General case' 0 C--O 1.258 1.509 0 O-C-N 125.002 1.439 . . . . 17.62 114.818 -177.725 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -62.36 -27.78 69.31 Favored 'General case' 0 CA--C 1.57 1.72 0 C-N-CA 124.413 1.085 . . . . 16.07 109.529 177.211 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' TYR . . . . . 0.655 ' OH ' ' HA3' ' A' ' 76' ' ' GLY . 56.0 m-85 -99.84 5.47 45.45 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 115.778 -2.058 . . . . 16.78 112.313 -179.193 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 66.8 t30 60.9 40.09 16.0 Favored 'General case' 0 C--N 1.309 -1.194 0 O-C-N 128.17 3.419 . . . . 16.1 110.455 -179.81 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 65.6 mt -87.47 110.49 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 N-CA-C 103.568 -2.752 . . . . 14.0 103.568 179.319 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -104.87 179.22 4.34 Favored 'General case' 0 C--O 1.246 0.871 0 CA-C-O 122.029 0.919 . . . . 12.95 110.874 179.332 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -50.22 142.03 10.52 Favored 'General case' 0 C--N 1.306 -1.32 0 C-N-CA 125.776 1.631 . . . . 18.46 108.417 -177.944 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' GLU . . . . . 0.757 ' OE2' ' NE2' ' B' ' 2' ' ' GLN . 0.0 OUTLIER 65.55 21.38 11.74 Favored 'General case' 0 C--N 1.28 -2.453 0 O-C-N 127.214 2.821 . . . . 17.92 113.887 178.492 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 71.6 m -79.13 162.39 25.84 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 128.253 3.471 . . . . 11.49 108.012 -178.934 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 55.1 m -118.12 132.1 56.37 Favored 'General case' 0 C--N 1.318 -0.784 0 O-C-N 125.923 2.015 . . . . 13.78 106.504 177.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' LEU . . . . . 0.415 ' HB2' HG22 ' B' ' 5' ' ' VAL . 3.1 mt -114.56 164.04 14.56 Favored 'General case' 0 CA--C 1.555 1.17 1 O-C-N 131.471 5.482 . . . . 13.39 101.397 178.633 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 68.8 m80 -123.97 155.53 38.03 Favored 'General case' 0 C--N 1.29 -2.017 0 N-CA-C 103.327 -2.842 . . . . 12.45 103.327 179.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 51.5 tp -128.57 129.54 46.11 Favored 'General case' 0 C--N 1.285 -2.232 0 O-C-N 126.434 2.334 . . . . 11.67 109.21 -179.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' VAL . . . . . 0.642 HG23 ' HB2' ' B' ' 42' ' ' ARG . 21.8 m -126.32 151.08 32.41 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 126.779 2.55 . . . . 12.44 104.956 174.19 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 71' ' ' LEU . . . . . 0.559 ' HA ' ' O ' ' B' ' 40' ' ' GLN . 5.6 mt -100.1 140.45 34.31 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 106.857 -1.534 . . . . 16.33 106.857 177.705 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . 0.438 0.0 OUTLIER -111.91 92.86 4.19 Favored 'General case' 0 CA--C 1.591 2.538 1 N-CA-C 97.21 -5.107 . . . . 29.3 97.21 171.852 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.34 151.24 20.11 Favored 'General case' 0 C--O 1.249 1.061 1 O-C-N 129.301 4.126 . . . . 25.72 113.145 -177.376 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . 0.389 0.0 OUTLIER -138.04 -65.02 0.52 Allowed 'General case' 0 C--O 1.257 1.448 0 C-N-CA 115.113 -2.635 . . . . 32.01 115.269 177.197 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -95.05 -168.67 36.24 Favored Glycine 0 CA--C 1.498 -1.009 0 N-CA-C 119.516 2.566 . . . . 31.36 119.516 -177.279 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.268 2.223 0 CA-C-O 118.547 -1.141 . . . . 32.98 114.506 179.609 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.0 ptt? . . . . . 0 C--O 1.246 0.908 0 CA-C-O 123.946 1.831 . . . . 10.33 107.027 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -97.29 127.16 43.01 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 126.799 2.039 . . . . 18.670000000000002 112.145 -178.506 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.6 pt -131.39 138.66 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 O-C-N 126.938 2.648 . . . . 13.210000000000001 110.099 173.594 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.548 ' HD1' HG22 ' A' ' 14' ' ' THR . 13.7 m-85 -89.57 139.89 30.09 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 108.171 -1.048 . . . . 16.940000000000001 108.171 174.547 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.4 t -118.71 107.98 23.0 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.428 0 N-CA-C 102.393 -3.188 . . . . 15.41 102.393 175.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 61.5 mttp -101.76 132.6 47.4 Favored 'General case' 0 C--N 1.287 -2.133 0 O-C-N 126.63 2.456 . . . . 20.949999999999999 111.824 -179.101 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' THR . . . . . 0.523 HG23 ' H ' ' A' ' 9' ' ' THR 0.282 0.8 OUTLIER -83.3 154.2 24.24 Favored 'General case' 0 C--O 1.269 2.129 0 CA-C-N 111.203 -2.726 . . . . 20.350000000000001 106.723 178.009 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 mt -78.78 -19.57 51.89 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 125.982 2.051 . . . . 21.539999999999999 109.284 179.954 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' THR . . . . . 0.523 ' H ' HG23 ' A' ' 7' ' ' THR . 68.5 p -87.27 15.54 6.23 Favored 'General case' 0 C--O 1.252 1.201 0 C-N-CA 125.979 1.711 . . . . 21.16 112.887 177.979 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.432 ' N ' HG22 ' A' ' 7' ' ' THR . . . 113.59 -63.2 0.3 Allowed Glycine 0 C--O 1.275 2.661 1 N-CA-C 124.392 4.517 . . . . 22.800000000000001 124.392 176.394 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.92 130.6 44.36 Favored 'General case' 0 C--N 1.287 -2.125 0 C-N-CA 131.293 3.837 . . . . 20.989999999999998 120.803 -177.928 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.5 m -98.31 129.57 45.0 Favored 'General case' 0 C--O 1.244 0.815 0 CA-C-O 125.809 2.719 . . . . 16.57 110.658 177.915 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 23.9 mt -110.98 124.34 67.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 N-CA-C 104.893 -2.262 . . . . 17.670000000000002 104.893 178.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' THR . . . . . 0.548 HG22 ' HD1' ' A' ' 4' ' ' PHE . 34.9 p -100.7 134.73 43.24 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 105.947 -1.872 . . . . 18.18 105.947 178.925 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.1 mt -135.37 155.53 50.42 Favored 'General case' 0 C--O 1.207 -1.17 0 CA-C-O 118.083 -0.961 . . . . 13.17 110.089 -179.01 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -111.51 115.46 29.24 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 128.577 3.673 . . . . 16.289999999999999 102.436 175.763 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.8 m -123.11 166.91 17.37 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 O-C-N 125.184 1.552 . . . . 11.1 110.049 -178.129 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -96.81 144.06 27.2 Favored Pre-proline 0 N--CA 1.483 1.177 0 N-CA-C 105.927 -1.879 . . . . 19.739999999999998 105.927 173.102 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -52.06 -35.48 61.88 Favored 'Trans proline' 0 C--O 1.266 1.904 0 C-N-CA 124.119 3.213 . . . . 11.460000000000001 114.325 179.663 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.317 25.5 m -89.1 0.43 56.72 Favored 'General case' 0 C--O 1.243 0.745 0 N-CA-C 116.494 2.035 . . . . 16.18 116.494 178.343 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -57.54 143.4 41.02 Favored 'General case' 0 C--N 1.308 -1.221 0 O-C-N 119.562 -1.961 . . . . 17.670000000000002 107.933 -179.085 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 47.4 p -77.45 162.53 27.12 Favored 'General case' 0 C--O 1.277 2.546 1 O-C-N 129.47 4.231 . . . . 11.26 104.022 177.951 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.6 mm -64.18 -34.13 66.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 126.927 2.642 . . . . 13.83 109.046 177.611 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -32.93 71.37 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-O 125.247 2.451 . . . . 24.02 109.973 -179.487 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -66.54 -43.59 84.73 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 119.404 -2.06 . . . . 19.0 112.612 -179.859 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.8 t -60.25 -42.75 91.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 N-CA-C 107.207 -1.405 . . . . 11.800000000000001 107.207 177.829 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -60.41 -46.31 90.46 Favored 'General case' 0 C--O 1.258 1.515 0 CA-C-N 113.438 -1.71 . . . . 16.219999999999999 108.234 179.475 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.83 -32.0 73.12 Favored 'General case' 0 N--CA 1.502 2.171 0 C-N-CA 116.876 -1.93 . . . . 11.539999999999999 109.363 -179.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -71.85 -30.17 65.16 Favored 'General case' 0 C--O 1.258 1.512 0 C-N-CA 119.731 -0.788 . . . . 18.23 111.84 178.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 14.8 mt -72.36 -38.04 59.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 118.378 -1.329 . . . . 7.9699999999999998 107.802 178.285 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -63.91 -46.38 85.11 Favored 'General case' 0 C--O 1.266 1.949 0 O-C-N 125.184 1.552 . . . . 16.300000000000001 108.159 -177.815 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -45.04 -51.53 9.93 Favored 'General case' 0 C--N 1.31 -1.139 0 O-C-N 126.175 2.172 . . . . 16.07 109.44 176.891 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -79.49 -55.39 5.08 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 116.938 2.199 . . . . 18.140000000000001 116.938 -177.703 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -97.29 -24.07 15.84 Favored 'General case' 0 C--O 1.248 1.013 0 N-CA-C 116.014 1.857 . . . . 21.780000000000001 116.014 -176.153 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.23 9.53 67.18 Favored Glycine 0 CA--C 1.529 0.951 0 CA-C-O 115.808 -2.662 . . . . 13.73 112.49 -179.652 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 21.2 mt -82.08 117.37 68.11 Favored Pre-proline 0 C--O 1.25 1.119 0 CA-C-N 119.503 1.651 . . . . 14.06 106.942 177.804 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -57.03 131.22 44.08 Favored 'Trans proline' 0 C--N 1.318 -1.061 0 C-N-CA 123.19 2.594 . . . . 13.029999999999999 112.315 179.378 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -47.55 -39.17 29.23 Favored 'Trans proline' 0 C--O 1.243 0.728 0 C-N-CA 122.674 2.25 . . . . 12.699999999999999 112.553 -178.083 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -59.4 -27.55 66.11 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.214 -0.903 . . . . 15.52 113.365 -179.556 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.648 ' HG3' HD13 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -85.06 -11.15 55.95 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 126.477 2.36 . . . . 25.379999999999999 111.415 -177.163 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -100.0 144.95 28.44 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 116.728 2.122 . . . . 12.06 116.728 -176.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.465 ' NH2' ' HG3' ' A' ' 72' ' ' ARG . 84.9 mmt-85 -130.7 115.39 16.61 Favored 'General case' 0 C--O 1.258 1.534 0 C-N-CA 129.004 2.922 . . . . 14.720000000000001 105.493 175.932 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.2 mt -102.17 145.11 29.84 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 106.215 -1.772 . . . . 10.710000000000001 106.215 -179.967 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.447 ' HA ' ' O ' ' A' ' 48' ' ' LYS . 4.8 mt -134.76 139.12 48.19 Favored 'Isoleucine or valine' 0 C--O 1.242 0.705 0 O-C-N 128.933 3.896 . . . . 10.4 112.843 -177.421 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -136.09 133.23 37.09 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 105.762 -1.94 . . . . 11.210000000000001 105.762 177.483 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.44 49.88 17.39 Favored 'General case' 0 C--N 1.282 -2.329 0 O-C-N 124.638 1.211 . . . . 15.390000000000001 110.648 179.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.43 -2.72 5.36 Favored Glycine 0 C--O 1.258 1.649 0 CA-C-O 116.345 -2.364 . . . . 13.710000000000001 114.279 -179.825 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 44' ' ' ILE . 1.0 OUTLIER -111.16 150.54 29.33 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-O 127.148 3.356 . . . . 21.940000000000001 115.449 177.952 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.34 133.26 41.28 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 112.187 -2.278 . . . . 16.079999999999998 108.071 176.905 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.2 mt -96.64 146.64 24.67 Favored 'General case' 0 C--O 1.203 -1.394 0 C-N-CA 124.355 1.062 . . . . 13.57 113.045 -178.527 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.4 145.29 26.31 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 121.445 -0.785 . . . . 22.93 112.738 179.47 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -48.93 -53.26 20.39 Favored 'General case' 0 C--O 1.257 1.491 0 O-C-N 128.04 3.337 . . . . 18.93 117.876 -176.603 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.04 -10.31 86.28 Favored Glycine 0 C--O 1.259 1.659 0 CA-C-O 115.256 -2.969 . . . . 15.73 116.908 -176.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.2 mtt-85 -85.89 163.27 18.17 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 120.02 1.91 . . . . 23.140000000000001 111.367 178.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.9 p -101.86 159.7 15.12 Favored 'General case' 0 C--O 1.246 0.877 0 CA-C-O 122.343 1.068 . . . . 12.77 111.741 179.712 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.19 -38.22 68.08 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 113.065 -1.88 . . . . 13.08 109.403 175.632 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.8 p -65.79 -39.3 90.82 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-O 116.829 -1.557 . . . . 16.039999999999999 110.76 -177.627 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -54.09 -39.29 66.21 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 125.866 1.978 . . . . 9.5 110.935 178.59 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -88.84 5.06 45.51 Favored 'General case' 0 N--CA 1.429 -1.484 0 CA-C-O 114.729 -2.558 . . . . 14.34 114.222 179.089 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.8 t30 63.18 28.23 15.85 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 126.411 2.319 . . . . 13.23 112.871 -179.791 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 65.0 mt -86.1 109.42 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 119.286 -2.134 . . . . 15.59 106.156 177.715 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.516 ' HB3' ' HE3' ' A' ' 63' ' ' LYS . 80.5 mt-30 -106.85 -179.78 4.04 Favored 'General case' 0 C--N 1.308 -1.198 0 C-N-CA 129.812 3.245 . . . . 18.100000000000001 113.286 -176.765 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.957 ' HE3' ' H ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -50.61 142.3 11.18 Favored 'General case' 0 CA--C 1.507 -0.676 0 O-C-N 125.556 1.785 . . . . 15.83 109.825 -176.703 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 64.18 15.97 9.71 Favored 'General case' 0 N--CA 1.437 -1.084 0 CA-C-O 114.54 -2.647 . . . . 15.19 116.778 -179.309 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.3 m -75.17 161.26 29.52 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 125.753 1.908 . . . . 12.31 110.068 -179.834 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.5 m -115.71 130.1 56.73 Favored 'General case' 0 C--O 1.245 0.855 0 CA-C-O 116.168 -1.872 . . . . 14.960000000000001 107.015 178.941 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.4 mt -114.46 162.64 16.42 Favored 'General case' 0 CA--C 1.568 1.653 0 O-C-N 128.451 3.594 . . . . 14.67 102.314 177.062 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.437 ' HA ' ' O ' ' A' ' 6' ' ' LYS . 90.9 m-70 -119.08 152.89 35.68 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 104.586 -2.376 . . . . 13.6 104.586 177.541 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.8 tp -122.25 133.86 54.69 Favored 'General case' 0 C--N 1.293 -1.851 0 O-C-N 128.896 3.872 . . . . 10.1 106.007 178.318 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.506 ' CG1' HD12 ' B' ' 44' ' ' ILE . 2.4 t -129.53 146.54 34.03 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.193 0 C-N-CA 130.365 3.466 . . . . 15.93 104.557 177.887 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.3 mt -103.58 145.49 29.95 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-O 116.354 -1.784 . . . . 20.219999999999999 107.564 179.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.465 ' HG3' ' NH2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -120.4 90.69 3.37 Favored 'General case' 0 CA--C 1.562 1.414 1 O-C-N 129.752 4.408 . . . . 27.699999999999999 101.302 177.144 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.648 HD13 ' HG3' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -103.61 141.62 35.72 Favored 'General case' 0 C--N 1.288 -2.082 0 O-C-N 126.537 2.398 . . . . 28.75 115.433 -178.712 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.9 tpp180 -45.53 130.66 8.76 Favored 'General case' 0 C--O 1.247 0.94 0 O-C-N 117.987 -2.945 . . . . 42.859999999999999 116.23 178.492 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.99 44.45 67.49 Favored Glycine 0 C--O 1.275 2.684 0 N-CA-C 117.579 1.792 . . . . 34.689999999999998 117.579 177.203 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.655 ' HA3' ' OH ' ' B' ' 59' ' ' TYR . . . . . . . . 0 N--CA 1.482 1.727 0 N-CA-C 106.043 -2.823 . . . . 33.509999999999998 106.043 -177.018 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.6 ptt? . . . . . 0 CA--C 1.538 0.516 0 N-CA-C 107.139 -1.43 . . . . 12.109999999999999 107.139 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.607 ' OE1' ' OE2' ' B' ' 64' ' ' GLU . 41.4 tt0 -96.42 127.8 42.75 Favored 'General case' 0 C--O 1.247 0.932 0 CA-C-N 112.683 -2.053 . . . . 17.379999999999999 112.229 -178.495 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 19.1 pt -128.79 163.23 34.1 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.045 0 CA-C-O 115.788 -2.053 . . . . 12.800000000000001 107.171 174.495 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -118.83 147.43 43.95 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 107.296 -1.372 . . . . 13.48 107.296 176.537 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.415 HG22 ' HB2' ' B' ' 67' ' ' LEU . 54.7 t -122.38 111.15 29.17 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 O-C-N 127.533 3.021 . . . . 11.960000000000001 103.486 176.7 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.1 136.51 40.84 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 126.225 2.203 . . . . 19.129999999999999 107.592 -177.835 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 44.4 p -86.06 164.21 17.46 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 105.903 -1.888 . . . . 14.69 105.903 177.132 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.56 -0.3 32.94 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 115.108 -2.637 . . . . 17.149999999999999 108.195 178.574 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 52.5 p -115.64 32.06 6.32 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 117.236 2.31 . . . . 19.18 117.236 -179.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.85 25.54 66.87 Favored Glycine 0 CA--C 1.48 -2.105 1 N-CA-C 125.0 4.76 . . . . 19.350000000000001 125.0 176.111 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.609 ' NZ ' HD11 ' B' ' 13' ' ' ILE . 13.5 tttm -119.77 126.28 50.65 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 118.862 1.331 . . . . 25.760000000000002 111.885 179.284 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 25.6 m -101.91 125.78 48.66 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-O 125.115 2.388 . . . . 14.42 109.608 176.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.609 HD11 ' NZ ' ' B' ' 11' ' ' LYS . 55.0 mt -104.63 123.34 58.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 104.252 -2.499 . . . . 13.949999999999999 104.252 176.495 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 17.4 m -96.04 128.36 42.87 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 117.554 -1.212 . . . . 18.170000000000002 108.206 176.49 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 94.4 mt -130.5 155.75 45.95 Favored 'General case' 0 CA--C 1.556 1.178 0 CA-C-N 120.595 1.543 . . . . 13.1 110.195 -179.155 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -115.51 114.84 25.53 Favored 'General case' 0 C--N 1.291 -1.943 0 N-CA-C 102.59 -3.115 . . . . 14.99 102.59 176.528 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 27.5 m -132.69 171.01 18.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 O-C-N 125.087 1.492 . . . . 10.68 107.9 -176.586 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -102.29 139.73 20.51 Favored Pre-proline 0 C--N 1.31 -1.141 0 O-C-N 127.39 2.931 . . . . 23.710000000000001 104.906 176.578 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -52.1 -17.96 6.56 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 123.877 3.051 . . . . 11.44 113.287 178.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 3.2 p -103.52 2.55 33.7 Favored 'General case' 0 N--CA 1.481 1.125 0 O-C-N 119.857 -1.777 . . . . 17.850000000000001 112.571 -177.489 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -63.11 141.42 58.77 Favored 'General case' 0 C--N 1.311 -1.104 0 O-C-N 125.265 1.603 . . . . 15.25 108.398 179.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 25.1 p -78.23 168.01 20.51 Favored 'General case' 0 C--O 1.271 2.187 0 O-C-N 128.032 3.332 . . . . 10.449999999999999 103.805 177.711 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 47.2 mm -68.34 -29.7 45.16 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.331 0 O-C-N 127.032 2.708 . . . . 13.210000000000001 109.869 178.946 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -71.92 -26.92 62.49 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 118.448 -2.657 . . . . 23.030000000000001 111.075 179.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.568 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 1.1 t30 -73.23 -34.11 65.7 Favored 'General case' 0 N--CA 1.485 1.299 0 O-C-N 116.851 -3.656 . . . . 22.190000000000001 111.433 178.07 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 42.0 t -68.41 -40.0 81.62 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 N-CA-C 107.352 -1.351 . . . . 10.460000000000001 107.352 178.921 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -63.43 -40.14 96.37 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-O 122.102 0.953 . . . . 18.260000000000002 108.658 176.214 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.14 -38.42 90.99 Favored 'General case' 0 N--CA 1.514 2.755 0 C-N-CA 117.517 -1.673 . . . . 10.289999999999999 106.652 -179.142 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.568 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 83.6 mttt -66.97 -39.43 87.2 Favored 'General case' 0 C--O 1.271 2.23 0 CA-C-O 117.34 -1.314 . . . . 13.99 111.781 179.212 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 5.2 mt -63.93 -42.51 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.153 0 N-CA-C 107.607 -1.257 . . . . 11.26 107.607 178.339 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -58.9 -48.97 79.57 Favored 'General case' 0 C--O 1.248 0.999 0 CA-C-O 118.457 -0.782 . . . . 12.17 110.39 179.315 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -51.81 -41.65 61.89 Favored 'General case' 0 C--N 1.311 -1.069 0 O-C-N 125.955 2.034 . . . . 16.719999999999999 110.376 -179.11 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.0 tptm -90.61 -43.58 10.08 Favored 'General case' 0 C--O 1.257 1.46 0 CA-C-N 113.46 -1.7 . . . . 20.93 115.237 -176.142 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -108.22 -9.26 15.55 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 116.651 -1.642 . . . . 24.289999999999999 113.806 -178.137 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.56 9.7 86.04 Favored Glycine 0 C--O 1.256 1.52 0 N-CA-C 115.98 1.152 . . . . 15.880000000000001 115.98 -179.429 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 29.2 mt -82.05 118.68 72.94 Favored Pre-proline 0 N--CA 1.442 -0.869 0 O-C-N 120.121 -1.811 . . . . 15.619999999999999 109.085 178.754 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.4 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 6.7 Cg_exo -51.84 135.12 49.82 Favored 'Trans proline' 0 C--N 1.323 -0.783 0 C-N-CA 124.311 3.341 . . . . 13.84 112.664 178.358 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 51.2 Cg_exo -55.84 -31.87 82.72 Favored 'Trans proline' 0 C--N 1.317 -1.106 0 C-N-CA 123.507 2.805 . . . . 14.029999999999999 112.308 -178.031 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -67.41 -27.66 67.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 115.525 -2.179 . . . . 18.600000000000001 113.43 179.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.559 ' O ' ' HA ' ' B' ' 71' ' ' LEU . 60.1 mt-30 -92.0 2.75 56.36 Favored 'General case' 0 C--N 1.284 -2.277 0 O-C-N 127.867 3.229 . . . . 22.059999999999999 110.813 -178.843 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -103.29 137.63 41.16 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 124.163 1.935 . . . . 13.01 115.984 -179.036 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.642 ' HB2' HG23 ' B' ' 70' ' ' VAL . 85.6 mmt-85 -126.89 120.61 29.61 Favored 'General case' 0 C--O 1.261 1.693 0 N-CA-C 104.497 -2.409 . . . . 11.02 104.497 175.212 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.64 138.13 40.72 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 116.851 -1.547 . . . . 13.890000000000001 108.727 -177.971 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.506 HD12 ' CG1' ' A' ' 70' ' ' VAL . 1.0 OUTLIER -128.4 136.21 60.61 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.151 1 O-C-N 130.591 4.932 . . . . 10.220000000000001 113.42 -178.941 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -132.34 125.84 31.85 Favored 'General case' 0 CA--C 1.567 1.615 0 C-N-CA 128.592 2.757 . . . . 11.33 106.736 176.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 51.6 42.74 29.85 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 128.009 3.318 . . . . 15.09 114.179 175.729 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.38 2.09 89.05 Favored Glycine 0 C--O 1.26 1.76 0 C-N-CA 130.527 3.917 . . . . 15.85 116.391 176.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . 0.307 0.1 OUTLIER -123.21 146.3 47.92 Favored 'General case' 0 C--O 1.263 1.768 0 C-N-CA 116.086 -2.246 . . . . 29.780000000000001 112.41 179.862 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -76.54 138.89 40.49 Favored 'General case' 0 C--O 1.244 0.764 0 CA-C-N 114.036 -1.438 . . . . 17.969999999999999 111.851 179.889 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.25 143.17 26.52 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 118.183 2.66 . . . . 13.19 118.183 -177.324 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.8 129.1 37.83 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 119.767 -1.833 . . . . 29.239999999999998 109.401 179.388 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -45.24 -35.0 3.1 Favored 'General case' 0 C--N 1.305 -1.349 0 C-N-CA 130.043 3.337 . . . . 17.940000000000001 117.655 179.738 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.0 0.43 69.33 Favored Glycine 0 N--CA 1.446 -0.647 0 N-CA-C 117.496 1.758 . . . . 12.82 117.496 -176.653 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -100.15 161.8 13.37 Favored 'General case' 0 C--O 1.25 1.083 0 N-CA-C 105.601 -2.0 . . . . 28.629999999999999 105.601 178.207 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 24.9 p -95.17 165.55 12.35 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-O 125.215 2.436 . . . . 10.699999999999999 110.794 177.926 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 67.6 mt -57.43 -44.63 84.85 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 111.902 -2.408 . . . . 14.01 106.443 177.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . 0.266 51.3 p -62.54 -31.49 72.28 Favored 'General case' 0 C--O 1.258 1.509 0 O-C-N 125.002 1.439 . . . . 17.620000000000001 114.818 -177.725 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -62.36 -27.78 69.31 Favored 'General case' 0 CA--C 1.57 1.72 0 C-N-CA 124.413 1.085 . . . . 16.07 109.529 177.211 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.655 ' OH ' ' HA3' ' A' ' 76' ' ' GLY . 56.0 m-85 -99.84 5.47 45.45 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 115.778 -2.058 . . . . 16.780000000000001 112.313 -179.193 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 66.8 t30 60.9 40.09 16.0 Favored 'General case' 0 C--N 1.309 -1.194 0 O-C-N 128.17 3.419 . . . . 16.100000000000001 110.455 -179.81 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 65.6 mt -87.47 110.49 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 N-CA-C 103.568 -2.752 . . . . 14.0 103.568 179.319 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -104.87 179.22 4.34 Favored 'General case' 0 C--O 1.246 0.871 0 CA-C-O 122.029 0.919 . . . . 12.949999999999999 110.874 179.332 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -50.22 142.03 10.52 Favored 'General case' 0 C--N 1.306 -1.32 0 C-N-CA 125.776 1.631 . . . . 18.460000000000001 108.417 -177.944 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.607 ' OE2' ' OE1' ' B' ' 2' ' ' GLN . 0.0 OUTLIER 65.55 21.38 11.74 Favored 'General case' 0 C--N 1.28 -2.453 0 O-C-N 127.214 2.821 . . . . 17.920000000000002 113.887 178.492 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 71.6 m -79.13 162.39 25.84 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 128.253 3.471 . . . . 11.49 108.012 -178.934 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 55.1 m -118.12 132.1 56.37 Favored 'General case' 0 C--N 1.318 -0.784 0 O-C-N 125.923 2.015 . . . . 13.779999999999999 106.504 177.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.415 ' HB2' HG22 ' B' ' 5' ' ' VAL . 3.1 mt -114.56 164.04 14.56 Favored 'General case' 0 CA--C 1.555 1.17 1 O-C-N 131.471 5.482 . . . . 13.390000000000001 101.397 178.633 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.555 ' CD2' ' O ' ' B' ' 207' ' ' HOH . 98.0 m-70 -123.97 155.53 38.03 Favored 'General case' 0 C--N 1.29 -2.017 0 N-CA-C 103.327 -2.842 . . . . 12.449999999999999 103.327 179.252 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 51.5 tp -128.57 129.54 46.11 Favored 'General case' 0 C--N 1.285 -2.232 0 O-C-N 126.434 2.334 . . . . 11.67 109.21 -179.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.642 HG23 ' HB2' ' B' ' 42' ' ' ARG . 21.8 m -126.32 151.08 32.41 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 126.779 2.55 . . . . 12.44 104.956 174.19 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.559 ' HA ' ' O ' ' B' ' 40' ' ' GLN . 5.6 mt -100.1 140.45 34.31 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 106.857 -1.534 . . . . 16.329999999999998 106.857 177.705 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . 0.438 0.0 OUTLIER -111.91 92.86 4.19 Favored 'General case' 0 CA--C 1.591 2.538 1 N-CA-C 97.21 -5.107 . . . . 29.300000000000001 97.21 171.852 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.34 151.24 20.11 Favored 'General case' 0 C--O 1.249 1.061 1 O-C-N 129.301 4.126 . . . . 25.719999999999999 113.145 -177.376 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . 0.389 0.0 OUTLIER -138.04 -65.02 0.52 Allowed 'General case' 0 C--O 1.257 1.448 0 C-N-CA 115.113 -2.635 . . . . 32.009999999999998 115.269 177.197 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -95.05 -168.67 36.24 Favored Glycine 0 CA--C 1.498 -1.009 0 N-CA-C 119.516 2.566 . . . . 31.359999999999999 119.516 -177.279 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.268 2.223 0 CA-C-O 118.547 -1.141 . . . . 32.979999999999997 114.506 179.609 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 207' ' ' HOH . . . . . 0.555 ' O ' ' CD2' ' B' ' 68' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_