data_1vcc_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 1vcc _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 . . . . . . . . . . . . . 8.5 mtt . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 121.828 0.823 . . . . 18.61 112.45 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -65.66 131.66 46.9 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.072 -0.967 . . . . 34.22 113.128 -178.156 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.59 114.57 25.34 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 114.184 -1.371 . . . . 10.8 109.591 -179.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 70.1 mt -104.02 150.23 24.44 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 108.955 -0.758 . . . . 9.35 108.955 177.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -100.75 135.71 41.76 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.778 0.799 . . . . 13.68 109.669 178.276 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -110.1 135.75 50.42 Favored 'General case' 0 N--CA 1.436 -1.129 0 N-CA-C 116.798 2.147 . . . . 15.26 116.798 -176.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -157.12 116.38 3.36 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 114.458 -1.246 . . . . 29.02 113.473 176.45 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.2 t0 51.43 48.5 22.83 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 113.657 0.984 . . . . 29.74 113.657 176.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.16 -8.65 60.14 Favored Glycine 0 C--O 1.253 1.304 0 N-CA-C 117.68 1.832 . . . . 16.07 117.68 177.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -108.27 159.37 16.68 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 120.153 -0.619 . . . . 30.44 110.829 -179.015 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.3 mt -119.74 145.74 46.27 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.292 -0.867 . . . . 10.26 111.552 -177.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -138.61 156.04 47.8 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 115.175 -0.92 . . . . 8.96 111.719 -177.158 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.2 p -85.71 -14.39 45.52 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 119.656 -0.818 . . . . 17.94 111.04 178.679 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -119.12 155.63 31.21 Favored 'General case' 0 C--N 1.32 -0.695 0 O-C-N 120.762 -1.211 . . . . 15.36 111.06 -177.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -71.73 -9.05 57.7 Favored 'General case' 0 C--O 1.203 -1.388 0 N-CA-C 116.463 2.023 . . . . 23.05 116.463 -178.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -95.4 -3.21 47.45 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 123.394 0.678 . . . . 17.32 111.086 178.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 63.47 36.51 11.25 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 114.212 1.19 . . . . 12.84 114.212 177.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.7 mt -102.78 -16.51 15.93 Favored 'General case' 0 CA--C 1.508 -0.665 0 N-CA-C 113.171 0.804 . . . . 15.29 113.171 179.06 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -121.28 92.18 48.47 Favored Pre-proline 0 N--CA 1.476 0.847 0 CA-C-O 120.751 0.31 . . . . 28.79 110.205 -179.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -60.14 142.92 99.38 Favored 'Trans proline' 0 CA--C 1.512 -0.622 0 C-N-CA 122.997 2.465 . . . . 17.8 111.677 179.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -77.74 162.31 4.17 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.838 0 N-CA-C 102.91 -2.996 . . . . 15.51 102.91 177.827 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.6 t -64.49 144.96 56.82 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 120.734 -1.228 . . . . 23.0 108.828 178.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -60.59 -18.53 53.43 Favored 'General case' 0 C--O 1.245 0.845 0 N-CA-C 115.457 1.651 . . . . 23.07 115.457 179.603 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -94.42 14.03 21.89 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 122.32 1.057 . . . . 26.18 112.844 176.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -55.18 135.96 68.24 Favored Pre-proline 0 CA--C 1.553 1.088 0 C-N-CA 119.379 -0.929 . . . . 12.74 108.851 179.141 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -56.67 -30.29 83.23 Favored 'Trans proline' 0 C--O 1.251 1.163 0 N-CA-C 117.286 1.995 . . . . 12.41 117.286 179.792 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.04 -24.57 67.76 Favored 'General case' 0 C--O 1.261 1.665 0 N-CA-C 113.851 1.056 . . . . 10.65 113.851 179.34 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -60.07 -31.38 69.95 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 119.069 -1.052 . . . . 11.63 110.496 175.264 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 61.0 tt0 -67.6 -41.23 84.39 Favored 'General case' 0 C--O 1.249 1.077 0 C-N-CA 118.191 -1.404 . . . . 18.05 111.032 176.017 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.9 t -59.2 -45.25 92.99 Favored 'Isoleucine or valine' 0 C--O 1.256 1.424 0 N-CA-C 107.922 -1.14 . . . . 8.49 107.922 177.395 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.8 mt -66.6 -20.33 65.98 Favored 'General case' 0 C--O 1.248 1.013 0 N-CA-C 115.462 1.653 . . . . 10.45 115.462 -179.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -71.23 -33.83 70.23 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 107.597 -1.26 . . . . 13.58 107.597 178.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -94.37 -26.76 16.4 Favored 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 118.08 2.622 . . . . 14.76 118.08 -179.328 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 98.5 t -104.53 129.08 57.53 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 N-CA-C 113.569 0.952 . . . . 14.36 113.569 -175.44 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -90.26 136.19 33.21 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.155 -1.054 . . . . 30.87 108.155 177.416 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 39.7 mm -102.98 116.04 63.12 Favored Pre-proline 0 CA--C 1.502 -0.869 0 N-CA-C 105.647 -1.982 . . . . 11.15 105.647 179.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -57.12 127.66 26.6 Favored 'Trans proline' 0 CA--C 1.568 2.191 0 CA-C-O 122.463 0.943 . . . . 11.03 111.03 179.351 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 80.6 p -63.15 -17.62 62.57 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 116.187 1.921 . . . . 14.26 116.187 -175.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 25.0 p-80 -85.39 -11.97 53.22 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.61 0.719 . . . . 10.87 111.708 -178.281 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.4 mt -79.76 151.1 30.55 Favored 'General case' 0 C--O 1.242 0.69 0 O-C-N 121.3 -0.875 . . . . 11.17 110.927 -179.086 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 48.2 p -126.16 170.42 11.82 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 104.072 -2.566 . . . . 12.64 104.072 176.457 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 54.28 42.31 31.54 Favored 'General case' 0 C--O 1.247 0.926 0 C-N-CA 120.259 -0.576 . . . . 20.15 112.351 176.519 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 63.0 t -75.43 127.67 36.99 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.854 0 O-C-N 124.206 0.941 . . . . 9.05 112.194 -178.064 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 51.6 t -117.32 129.18 74.24 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 N-CA-C 106.178 -1.786 . . . . 8.4 106.178 179.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.2 t -122.09 129.35 75.45 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.988 0 N-CA-C 105.192 -2.151 . . . . 8.9 105.192 -179.304 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -78.25 135.86 37.65 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 114.167 1.173 . . . . 23.79 114.167 -178.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -73.14 104.02 4.07 Favored 'General case' 0 C--O 1.241 0.633 0 CA-C-N 114.789 -1.096 . . . . 12.11 109.045 178.612 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -163.22 167.05 22.55 Favored 'General case' 0 C--O 1.248 1.017 0 N-CA-C 106.245 -1.761 . . . . 10.8 106.245 179.242 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 52.2 p -82.2 163.35 21.96 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 123.876 0.735 . . . . 10.92 109.143 179.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 24.8 t-105 -58.25 -39.7 79.84 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 108.8 -0.815 . . . . 18.25 108.8 176.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 75.6 tt0 -58.8 -47.0 86.29 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.419 -0.801 . . . . 36.5 110.417 178.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -64.35 -38.6 91.62 Favored 'General case' 0 C--O 1.263 1.78 0 CA-C-N 115.914 -0.585 . . . . 19.69 111.007 179.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.09 -32.44 73.81 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 114.18 1.178 . . . . 12.52 114.18 -177.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.8 mt -47.13 -33.75 5.41 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 116.654 2.094 . . . . 22.73 116.654 -178.163 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.1 p -116.79 15.35 15.33 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.713 1.005 . . . . 15.26 113.713 -176.428 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 83.6 mtt85 -134.18 179.43 6.27 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 114.246 1.202 . . . . 14.4 114.246 -173.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 37.3 tp -72.03 130.5 41.07 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 102.815 -3.031 . . . . 10.26 102.815 175.086 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.8 mt -101.24 -49.88 10.62 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.713 0 N-CA-C 113.136 0.791 . . . . 8.19 113.136 -178.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -153.04 163.89 39.01 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.439 -0.8 . . . . 9.33 111.847 -179.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' VAL . . . . . 0.426 ' CG2' ' NH2' ' A' ' 68' ' ' ARG . 31.1 m -139.5 143.42 30.88 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.288 0 CA-C-N 113.885 -1.507 . . . . 14.58 107.308 -179.688 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -148.1 171.48 28.56 Favored Glycine 0 C--O 1.208 -1.519 0 C-N-CA 119.521 -1.323 . . . . 8.54 109.908 176.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.8 m -107.2 124.88 50.38 Favored 'General case' 0 CA--C 1.496 -1.102 0 CA-C-O 121.245 0.545 . . . . 13.6 110.676 179.185 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.2 p30 -73.92 -179.58 3.79 Favored 'General case' 0 CA--C 1.579 2.059 0 C-N-CA 119.178 -1.009 . . . . 10.68 111.111 176.843 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 81.4 p -63.25 -12.22 27.29 Favored 'General case' 0 C--O 1.252 1.219 0 N-CA-C 115.901 1.815 . . . . 12.5 115.901 -177.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' LYS . . . . . 0.449 ' N ' ' CD ' ' A' ' 65' ' ' LYS . 1.2 mppt? -97.94 7.45 46.33 Favored 'General case' 0 C--O 1.272 2.289 0 O-C-N 124.419 1.074 . . . . 28.13 111.361 176.844 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.35 6.55 75.81 Favored Glycine 0 C--N 1.341 0.853 0 CA-C-N 114.914 -1.039 . . . . 12.49 113.163 179.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ARG . . . . . 0.421 ' NE ' ' O ' ' A' ' 116' ' ' HOH . 2.5 ttm180 -83.58 136.45 34.24 Favored 'General case' 0 CA--C 1.567 1.604 0 CA-C-N 118.46 1.13 . . . . 29.96 112.504 177.308 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ARG . . . . . 0.426 ' NH2' ' CG2' ' A' ' 60' ' ' VAL . 29.0 mmm180 -77.51 132.18 38.26 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.594 0.711 . . . . 14.7 111.104 178.48 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 61.6 mm-40 -119.8 123.8 44.57 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 107.097 -1.446 . . . . 20.54 107.097 -179.034 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -96.82 141.43 30.04 Favored 'General case' 0 N--CA 1.465 0.299 0 O-C-N 124.704 1.252 . . . . 16.11 112.249 -176.059 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -131.3 121.09 24.13 Favored 'General case' 0 C--O 1.255 1.376 0 CA-C-O 122.131 0.967 . . . . 17.21 111.704 -178.032 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -106.2 160.0 15.67 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 113.88 -1.509 . . . . 12.41 114.885 -176.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -66.66 160.2 47.66 Favored Glycine 0 C--O 1.252 1.244 0 CA-C-N 114.762 -1.108 . . . . 15.76 114.196 179.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 55.4 mttt -55.23 -32.04 61.97 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 114.112 1.153 . . . . 31.48 114.112 -178.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 84.9 mmm -99.66 9.6 42.84 Favored 'General case' 0 C--O 1.224 -0.273 0 N-CA-C 113.137 0.791 . . . . 32.78 113.137 -178.379 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -78.42 159.35 28.35 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 104.296 -2.483 . . . . 18.31 104.296 175.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.473 0.705 0 CA-C-O 113.635 -3.078 . . . . 29.39 116.891 178.826 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . 0.421 ' O ' ' NE ' ' A' ' 67' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.5 mtt . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 121.828 0.823 . . . . 18.61 112.45 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ARG . . . . . 0.535 ' HD3' HD21 ' A' ' 4' ' ' LEU . 1.1 ttt-85 -65.66 131.66 46.9 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.072 -0.967 . . . . 34.22 113.128 -178.156 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 90' ' ' HOH . . . -88.59 114.57 25.34 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 114.184 -1.371 . . . . 10.8 109.591 -179.957 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' LEU . . . . . 0.535 HD21 ' HD3' ' A' ' 2' ' ' ARG . 70.1 mt -104.02 150.23 24.44 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 108.955 -0.758 . . . . 9.35 108.955 177.166 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -100.75 135.71 41.76 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.778 0.799 . . . . 13.68 109.669 178.276 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -110.1 135.75 50.42 Favored 'General case' 0 N--CA 1.436 -1.129 0 N-CA-C 116.798 2.147 . . . . 15.26 116.798 -176.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -157.12 116.38 3.36 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 114.458 -1.246 . . . . 29.02 113.473 176.45 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.2 t0 51.43 48.5 22.83 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 113.657 0.984 . . . . 29.74 113.657 176.973 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.16 -8.65 60.14 Favored Glycine 0 C--O 1.253 1.304 0 N-CA-C 117.68 1.832 . . . . 16.07 117.68 177.835 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -108.27 159.37 16.68 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 120.153 -0.619 . . . . 30.44 110.829 -179.015 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.3 mt -119.74 145.74 46.27 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.292 -0.867 . . . . 10.26 111.552 -177.786 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -138.61 156.04 47.8 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 115.175 -0.92 . . . . 8.96 111.719 -177.158 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.2 p -85.71 -14.39 45.52 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 119.656 -0.818 . . . . 17.94 111.04 178.679 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -119.12 155.63 31.21 Favored 'General case' 0 C--N 1.32 -0.695 0 O-C-N 120.762 -1.211 . . . . 15.36 111.06 -177.882 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -71.73 -9.05 57.7 Favored 'General case' 0 C--O 1.203 -1.388 0 N-CA-C 116.463 2.023 . . . . 23.05 116.463 -178.326 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ASN . . . . . 0.466 ' HB2' ' O ' ' A' ' 84' ' ' HOH . 75.4 m-20 -95.4 -3.21 47.45 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 123.394 0.678 . . . . 17.32 111.086 178.461 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 63.47 36.51 11.25 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 114.212 1.19 . . . . 12.84 114.212 177.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.7 mt -102.78 -16.51 15.93 Favored 'General case' 0 CA--C 1.508 -0.665 0 N-CA-C 113.171 0.804 . . . . 15.29 113.171 179.06 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -121.28 92.18 48.47 Favored Pre-proline 0 N--CA 1.476 0.847 0 CA-C-O 120.751 0.31 . . . . 28.79 110.205 -179.422 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -60.14 142.92 99.38 Favored 'Trans proline' 0 CA--C 1.512 -0.622 0 C-N-CA 122.997 2.465 . . . . 17.8 111.677 179.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -77.74 162.31 4.17 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.838 0 N-CA-C 102.91 -2.996 . . . . 15.51 102.91 177.827 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.6 t -64.49 144.96 56.82 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 120.734 -1.228 . . . . 23.0 108.828 178.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -60.59 -18.53 53.43 Favored 'General case' 0 C--O 1.245 0.845 0 N-CA-C 115.457 1.651 . . . . 23.07 115.457 179.603 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -94.42 14.03 21.89 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 122.32 1.057 . . . . 26.18 112.844 176.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -55.18 135.96 68.24 Favored Pre-proline 0 CA--C 1.553 1.088 0 C-N-CA 119.379 -0.929 . . . . 12.74 108.851 179.141 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -56.67 -30.29 83.23 Favored 'Trans proline' 0 C--O 1.251 1.163 0 N-CA-C 117.286 1.995 . . . . 12.41 117.286 179.792 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.04 -24.57 67.76 Favored 'General case' 0 C--O 1.261 1.665 0 N-CA-C 113.851 1.056 . . . . 10.65 113.851 179.34 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -60.07 -31.38 69.95 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 119.069 -1.052 . . . . 11.63 110.496 175.264 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 61.0 tt0 -67.6 -41.23 84.39 Favored 'General case' 0 C--O 1.249 1.077 0 C-N-CA 118.191 -1.404 . . . . 18.05 111.032 176.017 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.9 t -59.2 -45.25 92.99 Favored 'Isoleucine or valine' 0 C--O 1.256 1.424 0 N-CA-C 107.922 -1.14 . . . . 8.49 107.922 177.395 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.8 mt -66.6 -20.33 65.98 Favored 'General case' 0 C--O 1.248 1.013 0 N-CA-C 115.462 1.653 . . . . 10.45 115.462 -179.483 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -71.23 -33.83 70.23 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 107.597 -1.26 . . . . 13.58 107.597 178.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -94.37 -26.76 16.4 Favored 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 118.08 2.622 . . . . 14.76 118.08 -179.328 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 98.5 t -104.53 129.08 57.53 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 N-CA-C 113.569 0.952 . . . . 14.36 113.569 -175.44 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -90.26 136.19 33.21 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.155 -1.054 . . . . 30.87 108.155 177.416 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 39.7 mm -102.98 116.04 63.12 Favored Pre-proline 0 CA--C 1.502 -0.869 0 N-CA-C 105.647 -1.982 . . . . 11.15 105.647 179.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -57.12 127.66 26.6 Favored 'Trans proline' 0 CA--C 1.568 2.191 0 CA-C-O 122.463 0.943 . . . . 11.03 111.03 179.351 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 80.6 p -63.15 -17.62 62.57 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 116.187 1.921 . . . . 14.26 116.187 -175.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 25.0 p-80 -85.39 -11.97 53.22 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.61 0.719 . . . . 10.87 111.708 -178.281 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.4 mt -79.76 151.1 30.55 Favored 'General case' 0 C--O 1.242 0.69 0 O-C-N 121.3 -0.875 . . . . 11.17 110.927 -179.086 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 48.2 p -126.16 170.42 11.82 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 104.072 -2.566 . . . . 12.64 104.072 176.457 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 54.28 42.31 31.54 Favored 'General case' 0 C--O 1.247 0.926 0 C-N-CA 120.259 -0.576 . . . . 20.15 112.351 176.519 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 63.0 t -75.43 127.67 36.99 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.854 0 O-C-N 124.206 0.941 . . . . 9.05 112.194 -178.064 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' VAL . . . . . 0.427 ' HB ' ' CG2' ' A' ' 60' ' ' VAL . 51.6 t -117.32 129.18 74.24 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 N-CA-C 106.178 -1.786 . . . . 8.4 106.178 179.844 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.2 t -122.09 129.35 75.45 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.988 0 N-CA-C 105.192 -2.151 . . . . 8.9 105.192 -179.304 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -78.25 135.86 37.65 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 114.167 1.173 . . . . 23.79 114.167 -178.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -73.14 104.02 4.07 Favored 'General case' 0 C--O 1.241 0.633 0 CA-C-N 114.789 -1.096 . . . . 12.11 109.045 178.612 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -163.22 167.05 22.55 Favored 'General case' 0 C--O 1.248 1.017 0 N-CA-C 106.245 -1.761 . . . . 10.8 106.245 179.242 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 52.2 p -82.2 163.35 21.96 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 123.876 0.735 . . . . 10.92 109.143 179.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 24.8 t-105 -58.25 -39.7 79.84 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 108.8 -0.815 . . . . 18.25 108.8 176.794 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLU . . . . . 0.574 ' HG2' ' O ' ' A' ' 91' ' ' HOH . 75.6 tt0 -58.8 -47.0 86.29 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.419 -0.801 . . . . 36.5 110.417 178.201 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -64.35 -38.6 91.62 Favored 'General case' 0 C--O 1.263 1.78 0 CA-C-N 115.914 -0.585 . . . . 19.69 111.007 179.608 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.09 -32.44 73.81 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 114.18 1.178 . . . . 12.52 114.18 -177.861 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.8 mt -47.13 -33.75 5.41 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 116.654 2.094 . . . . 22.73 116.654 -178.163 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.1 p -116.79 15.35 15.33 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.713 1.005 . . . . 15.26 113.713 -176.428 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 83.6 mtt85 -134.18 179.43 6.27 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 114.246 1.202 . . . . 14.4 114.246 -173.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 37.3 tp -72.03 130.5 41.07 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 102.815 -3.031 . . . . 10.26 102.815 175.086 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.8 mt -101.24 -49.88 10.62 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.713 0 N-CA-C 113.136 0.791 . . . . 8.19 113.136 -178.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -153.04 163.89 39.01 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.439 -0.8 . . . . 9.33 111.847 -179.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' VAL . . . . . 0.704 HG21 ' O ' ' A' ' 139' ' ' HOH . 31.1 m -139.5 143.42 30.88 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.288 0 CA-C-N 113.885 -1.507 . . . . 14.58 107.308 -179.688 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -148.1 171.48 28.56 Favored Glycine 0 C--O 1.208 -1.519 0 C-N-CA 119.521 -1.323 . . . . 8.54 109.908 176.862 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.8 m -107.2 124.88 50.38 Favored 'General case' 0 CA--C 1.496 -1.102 0 CA-C-O 121.245 0.545 . . . . 13.6 110.676 179.185 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.2 p30 -73.92 -179.58 3.79 Favored 'General case' 0 CA--C 1.579 2.059 0 C-N-CA 119.178 -1.009 . . . . 10.68 111.111 176.843 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 81.4 p -63.25 -12.22 27.29 Favored 'General case' 0 C--O 1.252 1.219 0 N-CA-C 115.901 1.815 . . . . 12.5 115.901 -177.821 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' LYS . . . . . 0.528 ' N ' ' HD3' ' A' ' 65' ' ' LYS . 1.2 mppt? -97.94 7.45 46.33 Favored 'General case' 0 C--O 1.272 2.289 0 O-C-N 124.419 1.074 . . . . 28.13 111.361 176.844 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.35 6.55 75.81 Favored Glycine 0 C--N 1.341 0.853 0 CA-C-N 114.914 -1.039 . . . . 12.49 113.163 179.906 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ARG . . . . . 0.415 ' NE ' ' O ' ' A' ' 116' ' ' HOH . 2.5 ttm180 -83.58 136.45 34.24 Favored 'General case' 0 CA--C 1.567 1.604 0 CA-C-N 118.46 1.13 . . . . 29.96 112.504 177.308 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ARG . . . . . 0.681 ' NH2' HG23 ' A' ' 60' ' ' VAL . 29.0 mmm180 -77.51 132.18 38.26 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.594 0.711 . . . . 14.7 111.104 178.48 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 61.6 mm-40 -119.8 123.8 44.57 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 107.097 -1.446 . . . . 20.54 107.097 -179.034 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -96.82 141.43 30.04 Favored 'General case' 0 N--CA 1.465 0.299 0 O-C-N 124.704 1.252 . . . . 16.11 112.249 -176.059 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -131.3 121.09 24.13 Favored 'General case' 0 C--O 1.255 1.376 0 CA-C-O 122.131 0.967 . . . . 17.21 111.704 -178.032 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -106.2 160.0 15.67 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 113.88 -1.509 . . . . 12.41 114.885 -176.617 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -66.66 160.2 47.66 Favored Glycine 0 C--O 1.252 1.244 0 CA-C-N 114.762 -1.108 . . . . 15.76 114.196 179.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' A' ' 86' ' ' HOH . 55.4 mttt -55.23 -32.04 61.97 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 114.112 1.153 . . . . 31.48 114.112 -178.681 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 84.9 mmm -99.66 9.6 42.84 Favored 'General case' 0 C--O 1.224 -0.273 0 N-CA-C 113.137 0.791 . . . . 32.78 113.137 -178.379 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -78.42 159.35 28.35 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 104.296 -2.483 . . . . 18.31 104.296 175.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.473 0.705 0 CA-C-O 113.635 -3.078 . . . . 29.39 116.891 178.826 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 84' ' ' HOH . . . . . 0.466 ' O ' ' HB2' ' A' ' 16' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 86' ' ' HOH . . . . . 0.475 ' O ' ' HG3' ' A' ' 74' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 90' ' ' HOH . . . . . 0.441 ' O ' ' HB3' ' A' ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' HOH . . . . . 0.574 ' O ' ' HG2' ' A' ' 51' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . 0.415 ' O ' ' NE ' ' A' ' 67' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 139' ' ' HOH . . . . . 0.704 ' O ' HG21 ' A' ' 60' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.5 mtt . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 121.828 0.823 . . . . 18.61 112.45 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.535 ' HD3' HD21 ' A' ' 4' ' ' LEU . 1.1 ttt-85 -65.66 131.66 46.9 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.072 -0.967 . . . . 34.22 113.128 -178.156 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 90' ' ' HOH . . . -88.59 114.57 25.34 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 114.184 -1.371 . . . . 10.8 109.591 -179.957 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.535 HD21 ' HD3' ' A' ' 2' ' ' ARG . 70.1 mt -104.02 150.23 24.44 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 108.955 -0.758 . . . . 9.35 108.955 177.166 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -100.75 135.71 41.76 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.778 0.799 . . . . 13.68 109.669 178.276 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -110.1 135.75 50.42 Favored 'General case' 0 N--CA 1.436 -1.129 0 N-CA-C 116.798 2.147 . . . . 15.26 116.798 -176.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -157.12 116.38 3.36 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 114.458 -1.246 . . . . 29.02 113.473 176.45 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.2 t0 51.43 48.5 22.83 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 113.657 0.984 . . . . 29.74 113.657 176.973 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.16 -8.65 60.14 Favored Glycine 0 C--O 1.253 1.304 0 N-CA-C 117.68 1.832 . . . . 16.07 117.68 177.835 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -108.27 159.37 16.68 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 120.153 -0.619 . . . . 30.44 110.829 -179.015 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.3 mt -119.74 145.74 46.27 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.292 -0.867 . . . . 10.26 111.552 -177.786 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -138.61 156.04 47.8 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 115.175 -0.92 . . . . 8.96 111.719 -177.158 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.2 p -85.71 -14.39 45.52 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 119.656 -0.818 . . . . 17.94 111.04 178.679 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -119.12 155.63 31.21 Favored 'General case' 0 C--N 1.32 -0.695 0 O-C-N 120.762 -1.211 . . . . 15.36 111.06 -177.882 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -71.73 -9.05 57.7 Favored 'General case' 0 C--O 1.203 -1.388 0 N-CA-C 116.463 2.023 . . . . 23.05 116.463 -178.326 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.466 ' HB2' ' O ' ' A' ' 84' ' ' HOH . 75.4 m-20 -95.4 -3.21 47.45 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 123.394 0.678 . . . . 17.32 111.086 178.461 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 63.47 36.51 11.25 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 114.212 1.19 . . . . 12.84 114.212 177.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.7 mt -102.78 -16.51 15.93 Favored 'General case' 0 CA--C 1.508 -0.665 0 N-CA-C 113.171 0.804 . . . . 15.29 113.171 179.06 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -121.28 92.18 48.47 Favored Pre-proline 0 N--CA 1.476 0.847 0 CA-C-O 120.751 0.31 . . . . 28.79 110.205 -179.422 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -60.14 142.92 99.38 Favored 'Trans proline' 0 CA--C 1.512 -0.622 0 C-N-CA 122.997 2.465 . . . . 17.8 111.677 179.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -77.74 162.31 4.17 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.838 0 N-CA-C 102.91 -2.996 . . . . 15.51 102.91 177.827 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.6 t -64.49 144.96 56.82 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 120.734 -1.228 . . . . 23.0 108.828 178.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -60.59 -18.53 53.43 Favored 'General case' 0 C--O 1.245 0.845 0 N-CA-C 115.457 1.651 . . . . 23.07 115.457 179.603 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -94.42 14.03 21.89 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 122.32 1.057 . . . . 26.18 112.844 176.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.61 HD22 ' H ' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -55.18 135.96 68.24 Favored Pre-proline 0 CA--C 1.553 1.088 0 C-N-CA 119.379 -0.929 . . . . 12.74 108.851 179.141 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -56.67 -30.29 83.23 Favored 'Trans proline' 0 C--O 1.251 1.163 0 N-CA-C 117.286 1.995 . . . . 12.41 117.286 179.792 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.61 ' H ' HD22 ' A' ' 25' ' ' ASN . . . -64.04 -24.57 67.76 Favored 'General case' 0 C--O 1.261 1.665 0 N-CA-C 113.851 1.056 . . . . 10.65 113.851 179.34 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -60.07 -31.38 69.95 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 119.069 -1.052 . . . . 11.63 110.496 175.264 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 61.0 tt0 -67.6 -41.23 84.39 Favored 'General case' 0 C--O 1.249 1.077 0 C-N-CA 118.191 -1.404 . . . . 18.05 111.032 176.017 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.9 t -59.2 -45.25 92.99 Favored 'Isoleucine or valine' 0 C--O 1.256 1.424 0 N-CA-C 107.922 -1.14 . . . . 8.49 107.922 177.395 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.8 mt -66.6 -20.33 65.98 Favored 'General case' 0 C--O 1.248 1.013 0 N-CA-C 115.462 1.653 . . . . 10.45 115.462 -179.483 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -71.23 -33.83 70.23 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 107.597 -1.26 . . . . 13.58 107.597 178.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.567 ' HD2' ' O ' ' A' ' 136' ' ' HOH . 73.3 m80 -94.37 -26.76 16.4 Favored 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 118.08 2.622 . . . . 14.76 118.08 -179.328 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 98.5 t -104.53 129.08 57.53 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 N-CA-C 113.569 0.952 . . . . 14.36 113.569 -175.44 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -90.26 136.19 33.21 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.155 -1.054 . . . . 30.87 108.155 177.416 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 39.7 mm -102.98 116.04 63.12 Favored Pre-proline 0 CA--C 1.502 -0.869 0 N-CA-C 105.647 -1.982 . . . . 11.15 105.647 179.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -57.12 127.66 26.6 Favored 'Trans proline' 0 CA--C 1.568 2.191 0 CA-C-O 122.463 0.943 . . . . 11.03 111.03 179.351 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 80.6 p -63.15 -17.62 62.57 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 116.187 1.921 . . . . 14.26 116.187 -175.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 25.0 p-80 -85.39 -11.97 53.22 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.61 0.719 . . . . 10.87 111.708 -178.281 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.4 mt -79.76 151.1 30.55 Favored 'General case' 0 C--O 1.242 0.69 0 O-C-N 121.3 -0.875 . . . . 11.17 110.927 -179.086 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 48.2 p -126.16 170.42 11.82 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 104.072 -2.566 . . . . 12.64 104.072 176.457 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 54.28 42.31 31.54 Favored 'General case' 0 C--O 1.247 0.926 0 C-N-CA 120.259 -0.576 . . . . 20.15 112.351 176.519 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 63.0 t -75.43 127.67 36.99 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.854 0 O-C-N 124.206 0.941 . . . . 9.05 112.194 -178.064 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.427 ' HB ' ' CG2' ' A' ' 60' ' ' VAL . 51.6 t -117.32 129.18 74.24 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 N-CA-C 106.178 -1.786 . . . . 8.4 106.178 179.844 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.2 t -122.09 129.35 75.45 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.988 0 N-CA-C 105.192 -2.151 . . . . 8.9 105.192 -179.304 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -78.25 135.86 37.65 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 114.167 1.173 . . . . 23.79 114.167 -178.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -73.14 104.02 4.07 Favored 'General case' 0 C--O 1.241 0.633 0 CA-C-N 114.789 -1.096 . . . . 12.11 109.045 178.612 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -163.22 167.05 22.55 Favored 'General case' 0 C--O 1.248 1.017 0 N-CA-C 106.245 -1.761 . . . . 10.8 106.245 179.242 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 52.2 p -82.2 163.35 21.96 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 123.876 0.735 . . . . 10.92 109.143 179.476 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 24.8 t-105 -58.25 -39.7 79.84 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 108.8 -0.815 . . . . 18.25 108.8 176.794 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.574 ' HG2' ' O ' ' A' ' 91' ' ' HOH . 75.6 tt0 -58.8 -47.0 86.29 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.419 -0.801 . . . . 36.5 110.417 178.201 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -64.35 -38.6 91.62 Favored 'General case' 0 C--O 1.263 1.78 0 CA-C-N 115.914 -0.585 . . . . 19.69 111.007 179.608 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.09 -32.44 73.81 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 114.18 1.178 . . . . 12.52 114.18 -177.861 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.8 mt -47.13 -33.75 5.41 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 116.654 2.094 . . . . 22.73 116.654 -178.163 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.1 p -116.79 15.35 15.33 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.713 1.005 . . . . 15.26 113.713 -176.428 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 83.6 mtt85 -134.18 179.43 6.27 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 114.246 1.202 . . . . 14.4 114.246 -173.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 37.3 tp -72.03 130.5 41.07 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 102.815 -3.031 . . . . 10.26 102.815 175.086 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.8 mt -101.24 -49.88 10.62 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.713 0 N-CA-C 113.136 0.791 . . . . 8.19 113.136 -178.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -153.04 163.89 39.01 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.439 -0.8 . . . . 9.33 111.847 -179.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.704 HG21 ' O ' ' A' ' 139' ' ' HOH . 31.1 m -139.5 143.42 30.88 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.288 0 CA-C-N 113.885 -1.507 . . . . 14.58 107.308 -179.688 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -148.1 171.48 28.56 Favored Glycine 0 C--O 1.208 -1.519 0 C-N-CA 119.521 -1.323 . . . . 8.54 109.908 176.862 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.8 m -107.2 124.88 50.38 Favored 'General case' 0 CA--C 1.496 -1.102 0 CA-C-O 121.245 0.545 . . . . 13.6 110.676 179.185 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.2 p30 -73.92 -179.58 3.79 Favored 'General case' 0 CA--C 1.579 2.059 0 C-N-CA 119.178 -1.009 . . . . 10.68 111.111 176.843 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 81.4 p -63.25 -12.22 27.29 Favored 'General case' 0 C--O 1.252 1.219 0 N-CA-C 115.901 1.815 . . . . 12.5 115.901 -177.821 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.528 ' N ' ' HD3' ' A' ' 65' ' ' LYS . 1.2 mppt? -97.94 7.45 46.33 Favored 'General case' 0 C--O 1.272 2.289 0 O-C-N 124.419 1.074 . . . . 28.13 111.361 176.844 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.35 6.55 75.81 Favored Glycine 0 C--N 1.341 0.853 0 CA-C-N 114.914 -1.039 . . . . 12.49 113.163 179.906 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.415 ' NE ' ' O ' ' A' ' 116' ' ' HOH . 2.5 ttm180 -83.58 136.45 34.24 Favored 'General case' 0 CA--C 1.567 1.604 0 CA-C-N 118.46 1.13 . . . . 29.96 112.504 177.308 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.681 ' NH2' HG23 ' A' ' 60' ' ' VAL . 29.0 mmm180 -77.51 132.18 38.26 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.594 0.711 . . . . 14.7 111.104 178.48 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 61.6 mm-40 -119.8 123.8 44.57 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 107.097 -1.446 . . . . 20.54 107.097 -179.034 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -96.82 141.43 30.04 Favored 'General case' 0 N--CA 1.465 0.299 0 O-C-N 124.704 1.252 . . . . 16.11 112.249 -176.059 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -131.3 121.09 24.13 Favored 'General case' 0 C--O 1.255 1.376 0 CA-C-O 122.131 0.967 . . . . 17.21 111.704 -178.032 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -106.2 160.0 15.67 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 113.88 -1.509 . . . . 12.41 114.885 -176.617 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -66.66 160.2 47.66 Favored Glycine 0 C--O 1.252 1.244 0 CA-C-N 114.762 -1.108 . . . . 15.76 114.196 179.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' A' ' 86' ' ' HOH . 55.4 mttt -55.23 -32.04 61.97 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 114.112 1.153 . . . . 31.48 114.112 -178.681 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 84.9 mmm -99.66 9.6 42.84 Favored 'General case' 0 C--O 1.224 -0.273 0 N-CA-C 113.137 0.791 . . . . 32.78 113.137 -178.379 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -78.42 159.35 28.35 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 104.296 -2.483 . . . . 18.31 104.296 175.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.473 0.705 0 CA-C-O 113.635 -3.078 . . . . 29.39 116.891 178.826 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' HOH . . . . . 0.466 ' O ' ' HB2' ' A' ' 16' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' HOH . . . . . 0.475 ' O ' ' HG3' ' A' ' 74' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' HOH . . . . . 0.441 ' O ' ' HB3' ' A' ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' HOH . . . . . 0.574 ' O ' ' HG2' ' A' ' 51' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . 0.415 ' O ' ' NE ' ' A' ' 67' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' HOH . . . . . 0.567 ' O ' ' HD2' ' A' ' 33' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' HOH . . . . . 0.704 ' O ' HG21 ' A' ' 60' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_