data_4dd2_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 4dd2 _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' ' ' LYS . . . . . . . . . . . . . 82.9 tttt . . . . . 0 N--CA 1.516 2.873 0 CA-C-O 118.125 -0.94 . . . . 39.189999999999998 112.622 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.6 t -104.57 107.3 22.14 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.573 0 O-C-N 125.185 1.553 . . . . 23.609999999999999 107.841 174.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -74.37 146.18 43.21 Favored 'General case' 0 CA--C 1.486 -1.506 0 CA-C-O 122.818 1.294 . . . . 24.420000000000002 109.893 -178.019 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.33 160.9 54.06 Favored Glycine 0 N--CA 1.433 -1.534 0 C-N-CA 118.851 -1.642 . . . . 25.82 114.188 155.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 64.3 ttp85 -54.2 -66.14 0.45 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 113.982 -1.109 . . . . 33.109999999999999 111.174 -177.245 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.8 m -63.7 -32.11 73.5 Favored 'General case' 0 C--O 1.211 -0.93 0 N-CA-C 113.785 1.032 . . . . 28.370000000000001 113.785 179.983 -66.403 -59.813 -69.549 106.222 1.991 106.281 -59.352 -52.115 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -57.79 -47.97 81.04 Favored 'General case' 0 CA--C 1.564 1.51 0 CA-C-O 122.467 1.127 . . . . 29.120000000000001 111.947 174.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 43.9 tp -65.55 -41.76 92.66 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 113.505 0.928 . . . . 21.73 113.505 176.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.13 -49.59 71.38 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 106.764 -1.569 . . . . 23.239999999999998 106.764 176.742 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.66 96.18 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.149 1.166 . . . . 26.800000000000001 114.149 178.801 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.86 -40.64 95.46 Favored 'General case' 0 C--O 1.236 0.377 0 O-C-N 121.452 -0.78 . . . . 25.969999999999999 110.541 178.051 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 29.3 mtt -65.47 -38.96 91.33 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 119.799 -0.76 . . . . 25.280000000000001 111.8 -179.103 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.0 tttt -66.88 -40.5 87.82 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 115.041 -0.982 . . . . 42.539999999999999 109.915 179.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -34.65 78.05 Favored 'General case' 0 C--O 1.212 -0.915 0 N-CA-C 107.583 -1.266 . . . . 59.329999999999998 107.583 -177.937 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' HIS . . . . . 0.554 ' CE1' ' C3 ' ' A' ' 808' ' ' GOL . 75.5 m80 -94.93 16.9 14.9 Favored 'General case' 0 CA--C 1.493 -1.218 0 N-CA-C 113.762 1.023 . . . . 32.68 113.762 -178.776 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.7 15.21 79.92 Favored Glycine 0 N--CA 1.443 -0.869 0 N-CA-C 115.271 0.868 . . . . 29.920000000000002 115.271 166.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 tp -79.18 -17.97 53.91 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 116.221 1.934 . . . . 30.34 116.221 176.041 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -67.71 122.11 17.38 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 121.045 -1.035 . . . . 44.159999999999997 108.715 -173.679 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . 0.348 10.0 m-80 55.19 18.58 2.48 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 120.345 3.461 . . . . 44.82 120.345 -167.085 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -62.94 124.54 21.35 Favored 'General case' 0 N--CA 1.412 -2.326 0 CA-C-O 121.514 0.673 . . . . 26.800000000000001 109.904 176.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 54.17 26.32 6.55 Favored 'General case' 0 C--O 1.254 1.321 0 CA-C-N 115.79 -0.641 . . . . 47.659999999999997 112.412 -172.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.66 7.11 87.86 Favored Glycine 0 CA--C 1.485 -1.814 0 N-CA-C 117.444 1.738 . . . . 24.260000000000002 117.444 177.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -94.03 111.51 23.24 Favored 'General case' 0 CA--C 1.476 -1.875 0 N-CA-C 113.617 0.969 . . . . 20.449999999999999 113.617 176.034 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 89.2 p -57.42 157.43 6.68 Favored 'General case' 0 C--O 1.264 1.855 0 O-C-N 124.175 0.922 . . . . 24.420000000000002 112.457 178.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 24.5 tp -54.17 -37.46 64.49 Favored 'General case' 0 C--O 1.241 0.647 0 N-CA-C 115.745 1.757 . . . . 25.5 115.745 -179.302 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.01 -35.03 74.46 Favored Glycine 0 N--CA 1.508 3.434 0 CA-C-N 119.647 1.112 . . . . 23.52 111.773 176.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -61.16 -47.23 87.18 Favored 'General case' 0 N--CA 1.51 2.57 0 CA-C-N 118.378 1.089 . . . . 21.09 110.289 176.613 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -66.01 -41.6 90.79 Favored 'General case' 0 CA--C 1.498 -1.03 0 CA-C-N 115.294 -0.866 . . . . 21.370000000000001 112.231 179.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.4 t -64.03 -44.56 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 CA-C-N 119.471 1.032 . . . . 19.390000000000001 111.469 177.406 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 48.0 t -58.13 -49.77 75.84 Favored 'General case' 0 CA--C 1.562 1.411 0 CA-C-O 116.345 -1.788 . . . . 20.59 109.176 176.591 -174.573 -88.145 -93.98 102.187 2.053 102.367 -77.716 -56.789 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.23 -44.81 94.89 Favored 'General case' 0 C--O 1.261 1.675 0 O-C-N 125.684 1.865 . . . . 19.27 107.847 -178.784 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.5 98.99 Favored 'General case' 0 C--O 1.264 1.851 0 C-N-CA 118.437 -1.305 . . . . 17.359999999999999 112.88 -178.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LYS . . . . . 0.599 ' NZ ' ' O1 ' ' A' ' 804' ' ' GOL . 43.7 tptt -52.81 -48.68 66.75 Favored 'General case' 0 C--O 1.254 1.319 0 O-C-N 119.354 -2.091 . . . . 32.600000000000001 112.241 176.776 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -83.11 -24.05 32.79 Favored 'General case' 0 CA--C 1.511 -0.532 0 O-C-N 123.957 0.786 . . . . 21.199999999999999 112.496 -174.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -77.3 -44.56 29.22 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 117.758 -1.577 . . . . 19.300000000000001 113.885 175.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 91.4 p -132.19 -6.99 3.42 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 113.178 0.807 . . . . 19.140000000000001 113.178 -166.472 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.0 t30 55.31 32.83 19.46 Favored 'General case' 0 C--O 1.249 1.076 0 O-C-N 121.072 -1.017 . . . . 26.289999999999999 111.176 -169.3 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 73.01 18.37 3.95 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 113.537 -1.665 . . . . 20.77 114.37 175.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 62.5 t-20 -98.67 112.04 24.22 Favored 'General case' 0 C--N 1.313 -0.99 0 C-N-CA 125.464 1.506 . . . . 24.23 110.112 -175.673 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 31.2 p -64.79 -21.24 66.73 Favored 'General case' 0 C--O 1.195 -1.777 0 CA-C-O 116.365 -1.778 . . . . 20.960000000000001 111.587 -178.067 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -94.87 7.16 46.85 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 124.356 1.035 . . . . 23.829999999999998 112.065 -173.929 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.26 128.26 35.86 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 123.796 0.838 . . . . 18.829999999999998 111.449 177.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 60.2 p -130.19 150.86 51.25 Favored 'General case' 0 CA--C 1.504 -0.825 0 N-CA-C 108.79 -0.818 . . . . 23.34 108.79 169.553 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -151.5 123.82 8.3 Favored 'General case' 0 C--O 1.191 -1.996 0 N-CA-C 107.279 -1.378 . . . . 36.619999999999997 107.279 178.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -77.85 138.04 38.72 Favored 'General case' 0 CA--C 1.498 -1.029 0 CA-C-N 115.414 -0.812 . . . . 36.189999999999998 111.369 174.489 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -95.49 159.64 14.9 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-N 114.75 -1.114 . . . . 34.170000000000002 110.397 176.417 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.7 p -57.57 -34.96 69.74 Favored 'General case' 0 C--O 1.264 1.821 0 N-CA-C 113.89 1.07 . . . . 40.460000000000001 113.89 -177.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -79.22 -0.77 33.45 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-N 112.314 -2.221 . . . . 39.039999999999999 113.74 -177.455 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.96 -3.85 81.13 Favored Glycine 0 C--O 1.249 1.068 0 O-C-N 125.812 1.945 . . . . 29.629999999999999 112.838 171.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 97.6 p -72.5 170.99 13.19 Favored 'General case' 0 CA--C 1.568 1.639 0 N-CA-C 104.845 -2.28 . . . . 25.09 104.845 169.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 60.5 m -131.9 147.75 52.49 Favored 'General case' 0 C--O 1.21 -0.974 0 CA-C-N 114.65 -1.159 . . . . 17.510000000000002 108.97 174.065 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -101.67 138.98 37.94 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 125.726 1.611 . . . . 34.530000000000001 108.167 175.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -129.42 133.88 47.57 Favored 'General case' 0 CA--C 1.562 1.419 0 N-CA-C 113.987 1.106 . . . . 19.109999999999999 113.987 -172.188 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.89 -171.97 54.08 Favored Glycine 0 CA--C 1.492 -1.399 0 N-CA-C 117.484 1.754 . . . . 17.649999999999999 117.484 168.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 39.7 pt -57.02 -27.57 27.21 Favored 'Isoleucine or valine' 0 C--O 1.254 1.334 0 N-CA-C 115.654 1.724 . . . . 27.050000000000001 115.654 -175.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.4 mt -111.75 12.56 21.05 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 115.128 1.529 . . . . 22.039999999999999 115.128 176.579 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 49.26 51.23 16.68 Favored 'General case' 0 CA--C 1.572 1.794 0 CA-C-O 122.947 1.356 . . . . 22.789999999999999 112.888 169.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 62.9 mt -76.4 128.98 37.62 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.278 0 C-N-CA 126.697 1.999 . . . . 23.600000000000001 110.979 179.683 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -90.54 142.51 27.67 Favored 'General case' 0 C--O 1.256 1.445 0 C-N-CA 126.044 1.738 . . . . 49.009999999999998 112.511 -164.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 77.5 p -79.58 -4.19 50.4 Favored 'General case' 0 C--O 1.181 -2.543 0 CA-C-O 117.652 -1.166 . . . . 26.780000000000001 113.141 -177.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -40.14 62.41 Favored 'General case' 0 N--CA 1.504 2.237 0 N-CA-C 107.113 -1.439 . . . . 56.859999999999999 107.113 -178.601 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -112.72 -33.1 6.22 Favored 'General case' 0 CA--C 1.477 -1.86 0 N-CA-C 121.205 3.78 . . . . 36.810000000000002 121.205 176.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 54.3 m95 -106.46 -30.33 9.15 Favored 'General case' 0 C--O 1.19 -2.029 0 N-CA-C 118.586 2.81 . . . . 23.940000000000001 118.586 -159.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.7 p -139.35 155.02 47.96 Favored 'General case' 0 C--O 1.25 1.083 0 N-CA-C 108.141 -1.059 . . . . 21.469999999999999 108.141 -174.432 62.555 83.389 94.055 103.333 1.996 105.165 -61.35 -65.48 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -95.38 122.27 37.92 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 115.297 1.591 . . . . 27.620000000000001 115.297 173.303 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 41.6 p30 -113.68 -0.27 14.34 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-O 117.365 -1.302 . . . . 19.77 113.838 171.971 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.55 -7.42 61.68 Favored Glycine 0 CA--C 1.476 -2.349 0 C-N-CA 119.296 -1.431 . . . . 24.93 113.908 175.008 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -133.63 21.53 3.93 Favored 'General case' 0 C--N 1.312 -1.037 0 O-C-N 119.603 -2.116 . . . . 26.699999999999999 114.497 -173.859 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 39.4 m -115.81 88.57 21.25 Favored Pre-proline 0 C--O 1.166 -3.293 0 N-CA-C 109.308 -0.627 . . . . 24.18 109.308 -179.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_exo -42.86 136.39 4.74 Favored 'Trans proline' 0 CA--C 1.491 -1.667 0 N-CA-C 117.454 2.059 . . . . 41.140000000000001 117.454 176.071 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.58 20.67 77.36 Favored Glycine 0 CA--C 1.486 -1.78 0 CA-C-N 111.714 -2.494 . . . . 40.469999999999999 109.046 162.674 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.5 p -93.81 168.59 10.89 Favored 'General case' 0 N--CA 1.437 -1.118 0 N-CA-C 108.38 -0.97 . . . . 37.759999999999998 108.38 -170.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 37.5 mmm-85 -111.81 177.95 4.48 Favored 'General case' 0 C--O 1.292 3.295 0 CA-C-N 113.874 -1.512 . . . . 39.890000000000001 112.701 165.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -140.7 67.19 1.36 Allowed 'General case' 0 N--CA 1.441 -0.879 0 C-N-CA 127.653 2.381 . . . . 26.190000000000001 110.568 -179.106 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 78.7 mt -74.84 -21.66 59.14 Favored 'General case' 0 CA--C 1.493 -1.223 0 CA-C-N 115.069 -0.969 . . . . 29.18 111.887 -168.926 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 85.2 m -86.19 -3.79 59.04 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 115.215 1.561 . . . . 23.879999999999999 115.215 173.94 -67.653 171.899 79.197 104.296 2.056 104.787 59.1 -173.409 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 50.37 55.93 8.72 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 125.084 1.49 . . . . 42.560000000000002 114.715 -177.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 10.2 pt -147.35 144.19 19.19 Favored Pre-proline 0 CA--C 1.492 -1.267 0 C-N-CA 124.159 0.983 . . . . 31.239999999999998 111.873 -178.418 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -62.8 138.49 69.26 Favored 'Trans proline' 0 C--O 1.247 0.941 0 O-C-N 123.833 1.438 . . . . 22.670000000000002 112.579 164.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 99.7 m -59.19 -29.2 67.3 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 116.116 -2.233 . . . . 21.059999999999999 112.707 -177.669 -65.48 -61.35 94.055 105.165 1.996 103.333 83.389 62.555 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 98.2 p -55.89 -24.89 39.96 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 114.913 1.449 . . . . 23.300000000000001 114.913 175.684 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.87 -22.2 65.99 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 121.781 0.8 . . . . 25.989999999999998 111.998 177.105 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 82.3 mt -79.58 -0.8 35.1 Favored 'General case' 0 CA--C 1.567 1.599 0 CA-C-N 115.433 -0.803 . . . . 24.850000000000001 111.244 179.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 70.7 mt -103.55 -0.21 30.05 Favored 'General case' 0 C--N 1.359 1.0 0 O-C-N 120.349 -1.469 . . . . 25.670000000000002 111.347 -178.831 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 46.6 t -63.16 151.44 40.24 Favored 'General case' 0 N--CA 1.417 -2.096 0 N-CA-C 115.047 1.499 . . . . 25.420000000000002 115.047 -175.159 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 94.0 p -62.33 -26.89 68.68 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 115.54 -0.754 . . . . 33.969999999999999 111.804 169.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -91.88 119.96 32.13 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.655 0.741 . . . . 41.829999999999998 109.368 175.646 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.4 pt -83.29 0.6 4.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-N 113.988 -1.46 . . . . 24.710000000000001 113.431 -169.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 92.5 m -49.9 -51.6 39.48 Favored 'General case' 0 CA--C 1.555 1.148 0 N-CA-C 113.993 1.108 . . . . 27.940000000000001 113.993 -178.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.71 -45.5 89.43 Favored 'General case' 0 C--O 1.265 1.872 0 O-C-N 119.966 -1.709 . . . . 24.329999999999998 111.437 -179.425 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.0 m -60.69 -47.52 85.88 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 119.08 -1.048 . . . . 22.300000000000001 111.946 -179.732 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 42.6 t -61.91 -45.63 98.28 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.945 0 CA-C-O 122.482 1.134 . . . . 22.210000000000001 110.595 -178.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -64.68 -35.78 82.13 Favored 'General case' 0 C--N 1.318 -0.773 0 O-C-N 119.531 -1.981 . . . . 33.829999999999998 111.24 -178.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 48.9 t -72.47 -39.69 67.55 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 114.093 1.146 . . . . 22.75 114.093 176.196 -173.409 59.1 79.197 104.787 2.056 104.296 171.899 -67.653 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.18 -38.51 73.74 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.704 1.202 . . . . 21.469999999999999 110.615 171.565 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -60.92 -40.73 94.31 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 117.645 -1.622 . . . . 27.800000000000001 111.885 176.57 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -65.93 -41.82 90.85 Favored 'General case' 0 C--O 1.245 0.86 0 CA-C-O 121.997 0.903 . . . . 42.609999999999999 110.826 177.312 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 59.7 mt -62.06 -49.57 83.55 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.523 0 N-CA-C 109.399 -0.593 . . . . 21.969999999999999 109.399 -177.36 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 8.1 p -69.92 -13.54 17.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 N-CA-C 113.915 1.08 . . . . 24.719999999999999 113.915 -175.5 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 39.2 m -90.32 -3.98 57.41 Favored 'General case' 0 C--O 1.205 -1.246 0 N-CA-C 114.257 1.206 . . . . 27.91 114.257 174.407 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -74.52 -8.76 57.39 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 114.419 1.266 . . . . 46.030000000000001 114.419 -169.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 131.78 -33.13 2.79 Favored Glycine 0 N--CA 1.469 0.837 0 C-N-CA 120.406 -0.902 . . . . 29.550000000000001 114.407 175.305 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -108.32 13.75 25.41 Favored 'General case' 0 C--O 1.243 0.748 0 N-CA-C 113.19 0.811 . . . . 39.380000000000003 113.19 -173.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 59.61 -144.18 46.13 Favored Glycine 0 N--CA 1.413 -2.836 0 N-CA-C 108.021 -2.032 . . . . 20.530000000000001 108.021 174.482 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 68.5 mtp -78.54 -3.71 45.03 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 113.722 -1.239 . . . . 20.0 112.206 -175.536 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -60.63 -18.49 53.67 Favored 'General case' 0 C--O 1.255 1.349 0 O-C-N 124.287 0.992 . . . . 24.190000000000001 111.947 175.245 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.4 -27.88 64.69 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 125.888 1.993 . . . . 24.219999999999999 109.456 177.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 30.5 m-90 -98.0 102.87 14.74 Favored 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 108.046 -1.094 . . . . 21.210000000000001 108.046 175.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 48.6 t -58.57 -39.32 75.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 CA-C-O 117.843 -1.075 . . . . 27.370000000000001 111.814 -175.236 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.73 -39.72 81.69 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 124.37 1.043 . . . . 24.0 113.376 173.378 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 91.6 t90 -59.18 -45.5 90.87 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 118.126 -1.43 . . . . 20.940000000000001 113.615 170.301 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 61.9 ttp85 -64.19 -45.24 89.21 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.474 -0.766 . . . . 38.329999999999998 109.229 -179.416 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -90.33 7.96 35.84 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 117.336 2.347 . . . . 23.0 117.336 -175.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -147.72 -20.82 0.37 Allowed 'General case' 0 C--O 1.261 1.702 0 N-CA-C 114.783 1.401 . . . . 23.41 114.783 177.916 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 62.6 m -113.74 -44.88 3.14 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 114.547 1.314 . . . . 21.75 114.547 -178.254 -56.789 -77.716 -93.98 102.367 2.053 102.187 -88.145 -174.573 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -48.49 124.83 8.71 Favored 'General case' 0 C--O 1.25 1.13 0 CA-C-N 117.902 0.319 . . . . 22.510000000000002 111.171 -177.747 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 84.24 -8.42 67.66 Favored Glycine 0 C--N 1.339 0.744 0 O-C-N 125.909 2.005 . . . . 29.719999999999999 114.593 171.654 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 17.7 p -83.01 173.35 11.85 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 113.758 1.022 . . . . 25.329999999999998 113.758 175.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -78.89 72.64 5.42 Favored 'General case' 0 C--O 1.247 0.968 0 CA-C-O 122.843 1.306 . . . . 39.060000000000002 109.27 179.058 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 34.9 m -63.68 -20.9 27.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 114.728 -1.124 . . . . 25.469999999999999 111.955 -176.121 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.97 -27.16 63.2 Favored 'General case' 0 C--O 1.259 1.558 0 O-C-N 120.448 -1.407 . . . . 62.590000000000003 112.982 178.652 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -52.57 -31.93 38.59 Favored 'General case' 0 C--O 1.206 -1.204 0 N-CA-C 112.938 0.718 . . . . 23.84 112.938 175.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -66.13 -19.85 65.97 Favored 'General case' 0 C--O 1.221 -0.399 0 N-CA-C 115.996 1.85 . . . . 26.43 115.996 -178.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 10.4 pt -113.71 6.1 7.83 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.646 0 O-C-N 121.732 -0.605 . . . . 32.210000000000001 109.995 177.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -57.91 128.27 36.24 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.957 -0.757 . . . . 59.759999999999998 108.957 179.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 84.01 -5.31 80.09 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 117.271 1.668 . . . . 35.840000000000003 117.271 178.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 38.3 m -81.8 134.08 35.39 Favored 'General case' 0 C--O 1.259 1.568 0 N-CA-C 114.174 1.176 . . . . 32.869999999999997 114.174 -178.728 -52.115 -59.352 -69.549 106.281 1.991 106.222 -59.813 -66.403 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 51.0 ttt85 -77.06 104.29 7.47 Favored 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 105.707 -1.96 . . . . 52.649999999999999 105.707 169.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 81.8 mt . . . . . 0 C--O 1.242 0.68 0 CA-C-N 115.766 -0.652 . . . . 59.899999999999999 110.99 -175.828 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 801' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 802' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 803' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 804' ' ' GOL . . . . . 0.599 ' O1 ' ' NZ ' ' A' ' 33' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 805' ' ' GOL . . . . . 0.563 ' O1 ' ' O2 ' ' A' ' 807' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 806' ' ' GOL . . . . . 0.585 ' C1 ' ' O ' ' A' ' 938' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 807' ' ' GOL . . . . . 0.563 ' O2 ' ' O1 ' ' A' ' 805' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 808' ' ' GOL . . . . . 0.554 ' C3 ' ' CE1' ' A' ' 15' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 809' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 901' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 902' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 903' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 904' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 905' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 906' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 907' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 908' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 909' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 910' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 911' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 912' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 913' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 914' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 915' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 916' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 917' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 918' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 919' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 920' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 921' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 922' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 923' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 924' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 925' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 926' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 927' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 928' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 929' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 930' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 931' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 932' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 933' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 934' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 935' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 936' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 937' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 938' ' ' HOH . . . . . 0.585 ' O ' ' C1 ' ' A' ' 806' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 939' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 940' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 941' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 942' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 943' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 82.9 tttt . . . . . 0 N--CA 1.516 2.873 0 CA-C-O 118.125 -0.94 . . . . 39.189999999999998 112.622 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.6 t -104.57 107.3 22.14 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.573 0 O-C-N 125.185 1.553 . . . . 23.609999999999999 107.841 174.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -74.37 146.18 43.21 Favored 'General case' 0 CA--C 1.486 -1.506 0 CA-C-O 122.818 1.294 . . . . 24.420000000000002 109.893 -178.019 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.33 160.9 54.06 Favored Glycine 0 N--CA 1.433 -1.534 0 C-N-CA 118.851 -1.642 . . . . 25.82 114.188 155.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 64.3 ttp85 -54.2 -66.14 0.45 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 113.982 -1.109 . . . . 33.109999999999999 111.174 -177.245 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.8 m -63.7 -32.11 73.5 Favored 'General case' 0 C--O 1.211 -0.93 0 N-CA-C 113.785 1.032 . . . . 28.370000000000001 113.785 179.983 -66.403 -59.813 -69.549 106.222 1.991 106.281 -59.352 -52.115 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -57.79 -47.97 81.04 Favored 'General case' 0 CA--C 1.564 1.51 0 CA-C-O 122.467 1.127 . . . . 29.120000000000001 111.947 174.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 43.9 tp -65.55 -41.76 92.66 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 113.505 0.928 . . . . 21.73 113.505 176.285 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.13 -49.59 71.38 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 106.764 -1.569 . . . . 23.239999999999998 106.764 176.742 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.66 96.18 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.149 1.166 . . . . 26.800000000000001 114.149 178.801 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.86 -40.64 95.46 Favored 'General case' 0 C--O 1.236 0.377 0 O-C-N 121.452 -0.78 . . . . 25.969999999999999 110.541 178.051 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 29.3 mtt -65.47 -38.96 91.33 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 119.799 -0.76 . . . . 25.280000000000001 111.8 -179.103 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.0 tttt -66.88 -40.5 87.82 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 115.041 -0.982 . . . . 42.539999999999999 109.915 179.711 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -34.65 78.05 Favored 'General case' 0 C--O 1.212 -0.915 0 N-CA-C 107.583 -1.266 . . . . 59.329999999999998 107.583 -177.937 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' HIS . . . . . 0.677 ' CE1' ' H32' ' A' ' 808' ' ' GOL . 75.5 m80 -94.93 16.9 14.9 Favored 'General case' 0 CA--C 1.493 -1.218 0 N-CA-C 113.762 1.023 . . . . 32.68 113.762 -178.776 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.7 15.21 79.92 Favored Glycine 0 N--CA 1.443 -0.869 0 N-CA-C 115.271 0.868 . . . . 29.920000000000002 115.271 166.368 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 tp -79.18 -17.97 53.91 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 116.221 1.934 . . . . 30.34 116.221 176.041 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -67.71 122.11 17.38 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 121.045 -1.035 . . . . 44.159999999999997 108.715 -173.679 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . 0.348 10.0 m-80 55.19 18.58 2.48 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 120.345 3.461 . . . . 44.82 120.345 -167.085 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -62.94 124.54 21.35 Favored 'General case' 0 N--CA 1.412 -2.326 0 CA-C-O 121.514 0.673 . . . . 26.800000000000001 109.904 176.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 54.17 26.32 6.55 Favored 'General case' 0 C--O 1.254 1.321 0 CA-C-N 115.79 -0.641 . . . . 47.659999999999997 112.412 -172.788 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.66 7.11 87.86 Favored Glycine 0 CA--C 1.485 -1.814 0 N-CA-C 117.444 1.738 . . . . 24.260000000000002 117.444 177.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' TYR . . . . . 0.567 ' OH ' ' H11' ' A' ' 803' ' ' GOL . 96.4 m-85 -94.03 111.51 23.24 Favored 'General case' 0 CA--C 1.476 -1.875 0 N-CA-C 113.617 0.969 . . . . 20.449999999999999 113.617 176.034 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 89.2 p -57.42 157.43 6.68 Favored 'General case' 0 C--O 1.264 1.855 0 O-C-N 124.175 0.922 . . . . 24.420000000000002 112.457 178.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 24.5 tp -54.17 -37.46 64.49 Favored 'General case' 0 C--O 1.241 0.647 0 N-CA-C 115.745 1.757 . . . . 25.5 115.745 -179.302 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.01 -35.03 74.46 Favored Glycine 0 N--CA 1.508 3.434 0 CA-C-N 119.647 1.112 . . . . 23.52 111.773 176.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -61.16 -47.23 87.18 Favored 'General case' 0 N--CA 1.51 2.57 0 CA-C-N 118.378 1.089 . . . . 21.09 110.289 176.613 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -66.01 -41.6 90.79 Favored 'General case' 0 CA--C 1.498 -1.03 0 CA-C-N 115.294 -0.866 . . . . 21.370000000000001 112.231 179.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.4 t -64.03 -44.56 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 CA-C-N 119.471 1.032 . . . . 19.390000000000001 111.469 177.406 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 48.0 t -58.13 -49.77 75.84 Favored 'General case' 0 CA--C 1.562 1.411 0 CA-C-O 116.345 -1.788 . . . . 20.59 109.176 176.591 -174.573 -88.145 -93.98 102.187 2.053 102.367 -77.716 -56.789 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.23 -44.81 94.89 Favored 'General case' 0 C--O 1.261 1.675 0 O-C-N 125.684 1.865 . . . . 19.27 107.847 -178.784 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.5 98.99 Favored 'General case' 0 C--O 1.264 1.851 0 C-N-CA 118.437 -1.305 . . . . 17.359999999999999 112.88 -178.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LYS . . . . . 0.599 ' NZ ' ' O1 ' ' A' ' 804' ' ' GOL . 43.7 tptt -52.81 -48.68 66.75 Favored 'General case' 0 C--O 1.254 1.319 0 O-C-N 119.354 -2.091 . . . . 32.600000000000001 112.241 176.776 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -83.11 -24.05 32.79 Favored 'General case' 0 CA--C 1.511 -0.532 0 O-C-N 123.957 0.786 . . . . 21.199999999999999 112.496 -174.973 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -77.3 -44.56 29.22 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 117.758 -1.577 . . . . 19.300000000000001 113.885 175.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 91.4 p -132.19 -6.99 3.42 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 113.178 0.807 . . . . 19.140000000000001 113.178 -166.472 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASN . . . . . 0.531 HD22 ' H31' ' A' ' 807' ' ' GOL . 35.0 t30 55.31 32.83 19.46 Favored 'General case' 0 C--O 1.249 1.076 0 O-C-N 121.072 -1.017 . . . . 26.289999999999999 111.176 -169.3 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 73.01 18.37 3.95 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 113.537 -1.665 . . . . 20.77 114.37 175.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 62.5 t-20 -98.67 112.04 24.22 Favored 'General case' 0 C--N 1.313 -0.99 0 C-N-CA 125.464 1.506 . . . . 24.23 110.112 -175.673 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 31.2 p -64.79 -21.24 66.73 Favored 'General case' 0 C--O 1.195 -1.777 0 CA-C-O 116.365 -1.778 . . . . 20.960000000000001 111.587 -178.067 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -94.87 7.16 46.85 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 124.356 1.035 . . . . 23.829999999999998 112.065 -173.929 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.26 128.26 35.86 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 123.796 0.838 . . . . 18.829999999999998 111.449 177.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 60.2 p -130.19 150.86 51.25 Favored 'General case' 0 CA--C 1.504 -0.825 0 N-CA-C 108.79 -0.818 . . . . 23.34 108.79 169.553 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -151.5 123.82 8.3 Favored 'General case' 0 C--O 1.191 -1.996 0 N-CA-C 107.279 -1.378 . . . . 36.619999999999997 107.279 178.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -77.85 138.04 38.72 Favored 'General case' 0 CA--C 1.498 -1.029 0 CA-C-N 115.414 -0.812 . . . . 36.189999999999998 111.369 174.489 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -95.49 159.64 14.9 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-N 114.75 -1.114 . . . . 34.170000000000002 110.397 176.417 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.7 p -57.57 -34.96 69.74 Favored 'General case' 0 C--O 1.264 1.821 0 N-CA-C 113.89 1.07 . . . . 40.460000000000001 113.89 -177.502 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -79.22 -0.77 33.45 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-N 112.314 -2.221 . . . . 39.039999999999999 113.74 -177.455 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.96 -3.85 81.13 Favored Glycine 0 C--O 1.249 1.068 0 O-C-N 125.812 1.945 . . . . 29.629999999999999 112.838 171.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 97.6 p -72.5 170.99 13.19 Favored 'General case' 0 CA--C 1.568 1.639 0 N-CA-C 104.845 -2.28 . . . . 25.09 104.845 169.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 60.5 m -131.9 147.75 52.49 Favored 'General case' 0 C--O 1.21 -0.974 0 CA-C-N 114.65 -1.159 . . . . 17.510000000000002 108.97 174.065 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -101.67 138.98 37.94 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 125.726 1.611 . . . . 34.530000000000001 108.167 175.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -129.42 133.88 47.57 Favored 'General case' 0 CA--C 1.562 1.419 0 N-CA-C 113.987 1.106 . . . . 19.109999999999999 113.987 -172.188 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.89 -171.97 54.08 Favored Glycine 0 CA--C 1.492 -1.399 0 N-CA-C 117.484 1.754 . . . . 17.649999999999999 117.484 168.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 39.7 pt -57.02 -27.57 27.21 Favored 'Isoleucine or valine' 0 C--O 1.254 1.334 0 N-CA-C 115.654 1.724 . . . . 27.050000000000001 115.654 -175.617 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.4 mt -111.75 12.56 21.05 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 115.128 1.529 . . . . 22.039999999999999 115.128 176.579 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 49.26 51.23 16.68 Favored 'General case' 0 CA--C 1.572 1.794 0 CA-C-O 122.947 1.356 . . . . 22.789999999999999 112.888 169.148 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ILE . . . . . 0.442 ' HB ' HD13 ' A' ' 83' ' ' LEU . 62.9 mt -76.4 128.98 37.62 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.278 0 C-N-CA 126.697 1.999 . . . . 23.600000000000001 110.979 179.683 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -90.54 142.51 27.67 Favored 'General case' 0 C--O 1.256 1.445 0 C-N-CA 126.044 1.738 . . . . 49.009999999999998 112.511 -164.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 77.5 p -79.58 -4.19 50.4 Favored 'General case' 0 C--O 1.181 -2.543 0 CA-C-O 117.652 -1.166 . . . . 26.780000000000001 113.141 -177.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -40.14 62.41 Favored 'General case' 0 N--CA 1.504 2.237 0 N-CA-C 107.113 -1.439 . . . . 56.859999999999999 107.113 -178.601 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -112.72 -33.1 6.22 Favored 'General case' 0 CA--C 1.477 -1.86 0 N-CA-C 121.205 3.78 . . . . 36.810000000000002 121.205 176.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 54.3 m95 -106.46 -30.33 9.15 Favored 'General case' 0 C--O 1.19 -2.029 0 N-CA-C 118.586 2.81 . . . . 23.940000000000001 118.586 -159.548 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.7 p -139.35 155.02 47.96 Favored 'General case' 0 C--O 1.25 1.083 0 N-CA-C 108.141 -1.059 . . . . 21.469999999999999 108.141 -174.432 62.555 83.389 94.055 103.333 1.996 105.165 -61.35 -65.48 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -95.38 122.27 37.92 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 115.297 1.591 . . . . 27.620000000000001 115.297 173.303 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 41.6 p30 -113.68 -0.27 14.34 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-O 117.365 -1.302 . . . . 19.77 113.838 171.971 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.55 -7.42 61.68 Favored Glycine 0 CA--C 1.476 -2.349 0 C-N-CA 119.296 -1.431 . . . . 24.93 113.908 175.008 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -133.63 21.53 3.93 Favored 'General case' 0 C--N 1.312 -1.037 0 O-C-N 119.603 -2.116 . . . . 26.699999999999999 114.497 -173.859 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 39.4 m -115.81 88.57 21.25 Favored Pre-proline 0 C--O 1.166 -3.293 0 N-CA-C 109.308 -0.627 . . . . 24.18 109.308 -179.794 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_exo -42.86 136.39 4.74 Favored 'Trans proline' 0 CA--C 1.491 -1.667 0 N-CA-C 117.454 2.059 . . . . 41.140000000000001 117.454 176.071 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.58 20.67 77.36 Favored Glycine 0 CA--C 1.486 -1.78 0 CA-C-N 111.714 -2.494 . . . . 40.469999999999999 109.046 162.674 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.5 p -93.81 168.59 10.89 Favored 'General case' 0 N--CA 1.437 -1.118 0 N-CA-C 108.38 -0.97 . . . . 37.759999999999998 108.38 -170.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 37.5 mmm-85 -111.81 177.95 4.48 Favored 'General case' 0 C--O 1.292 3.295 0 CA-C-N 113.874 -1.512 . . . . 39.890000000000001 112.701 165.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -140.7 67.19 1.36 Allowed 'General case' 0 N--CA 1.441 -0.879 0 C-N-CA 127.653 2.381 . . . . 26.190000000000001 110.568 -179.106 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 78.7 mt -74.84 -21.66 59.14 Favored 'General case' 0 CA--C 1.493 -1.223 0 CA-C-N 115.069 -0.969 . . . . 29.18 111.887 -168.926 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' CYS . . . . . 0.452 ' HA ' ' HE3' ' A' ' 97' ' ' LYS . 85.2 m -86.19 -3.79 59.04 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 115.215 1.561 . . . . 23.879999999999999 115.215 173.94 -67.653 171.899 79.197 104.296 2.056 104.787 59.1 -173.409 2 2 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 50.37 55.93 8.72 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 125.084 1.49 . . . . 42.560000000000002 114.715 -177.005 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 10.2 pt -147.35 144.19 19.19 Favored Pre-proline 0 CA--C 1.492 -1.267 0 C-N-CA 124.159 0.983 . . . . 31.239999999999998 111.873 -178.418 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -62.8 138.49 69.26 Favored 'Trans proline' 0 C--O 1.247 0.941 0 O-C-N 123.833 1.438 . . . . 22.670000000000002 112.579 164.901 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 99.7 m -59.19 -29.2 67.3 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 116.116 -2.233 . . . . 21.059999999999999 112.707 -177.669 -65.48 -61.35 94.055 105.165 1.996 103.333 83.389 62.555 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 98.2 p -55.89 -24.89 39.96 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 114.913 1.449 . . . . 23.300000000000001 114.913 175.684 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.87 -22.2 65.99 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 121.781 0.8 . . . . 25.989999999999998 111.998 177.105 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' LEU . . . . . 0.442 HD13 ' HB ' ' A' ' 58' ' ' ILE . 82.3 mt -79.58 -0.8 35.1 Favored 'General case' 0 CA--C 1.567 1.599 0 CA-C-N 115.433 -0.803 . . . . 24.850000000000001 111.244 179.256 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 70.7 mt -103.55 -0.21 30.05 Favored 'General case' 0 C--N 1.359 1.0 0 O-C-N 120.349 -1.469 . . . . 25.670000000000002 111.347 -178.831 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 46.6 t -63.16 151.44 40.24 Favored 'General case' 0 N--CA 1.417 -2.096 0 N-CA-C 115.047 1.499 . . . . 25.420000000000002 115.047 -175.159 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 94.0 p -62.33 -26.89 68.68 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 115.54 -0.754 . . . . 33.969999999999999 111.804 169.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -91.88 119.96 32.13 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.655 0.741 . . . . 41.829999999999998 109.368 175.646 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.4 pt -83.29 0.6 4.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-N 113.988 -1.46 . . . . 24.710000000000001 113.431 -169.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 92.5 m -49.9 -51.6 39.48 Favored 'General case' 0 CA--C 1.555 1.148 0 N-CA-C 113.993 1.108 . . . . 27.940000000000001 113.993 -178.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.71 -45.5 89.43 Favored 'General case' 0 C--O 1.265 1.872 0 O-C-N 119.966 -1.709 . . . . 24.329999999999998 111.437 -179.425 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.0 m -60.69 -47.52 85.88 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 119.08 -1.048 . . . . 22.300000000000001 111.946 -179.732 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 42.6 t -61.91 -45.63 98.28 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.945 0 CA-C-O 122.482 1.134 . . . . 22.210000000000001 110.595 -178.507 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -64.68 -35.78 82.13 Favored 'General case' 0 C--N 1.318 -0.773 0 O-C-N 119.531 -1.981 . . . . 33.829999999999998 111.24 -178.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 48.9 t -72.47 -39.69 67.55 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 114.093 1.146 . . . . 22.75 114.093 176.196 -173.409 59.1 79.197 104.787 2.056 104.296 171.899 -67.653 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.18 -38.51 73.74 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.704 1.202 . . . . 21.469999999999999 110.615 171.565 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -60.92 -40.73 94.31 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 117.645 -1.622 . . . . 27.800000000000001 111.885 176.57 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' LYS . . . . . 0.452 ' HE3' ' HA ' ' A' ' 76' ' ' CYS . 1.3 ttmm -65.93 -41.82 90.85 Favored 'General case' 0 C--O 1.245 0.86 0 CA-C-O 121.997 0.903 . . . . 42.609999999999999 110.826 177.312 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 59.7 mt -62.06 -49.57 83.55 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.523 0 N-CA-C 109.399 -0.593 . . . . 21.969999999999999 109.399 -177.36 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 8.1 p -69.92 -13.54 17.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 N-CA-C 113.915 1.08 . . . . 24.719999999999999 113.915 -175.5 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 39.2 m -90.32 -3.98 57.41 Favored 'General case' 0 C--O 1.205 -1.246 0 N-CA-C 114.257 1.206 . . . . 27.91 114.257 174.407 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -74.52 -8.76 57.39 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 114.419 1.266 . . . . 46.030000000000001 114.419 -169.804 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 131.78 -33.13 2.79 Favored Glycine 0 N--CA 1.469 0.837 0 C-N-CA 120.406 -0.902 . . . . 29.550000000000001 114.407 175.305 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -108.32 13.75 25.41 Favored 'General case' 0 C--O 1.243 0.748 0 N-CA-C 113.19 0.811 . . . . 39.380000000000003 113.19 -173.592 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' GLY . . . . . 0.41 ' HA3' ' H32' ' A' ' 803' ' ' GOL . . . 59.61 -144.18 46.13 Favored Glycine 0 N--CA 1.413 -2.836 0 N-CA-C 108.021 -2.032 . . . . 20.530000000000001 108.021 174.482 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 68.5 mtp -78.54 -3.71 45.03 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 113.722 -1.239 . . . . 20.0 112.206 -175.536 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -60.63 -18.49 53.67 Favored 'General case' 0 C--O 1.255 1.349 0 O-C-N 124.287 0.992 . . . . 24.190000000000001 111.947 175.245 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.4 -27.88 64.69 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 125.888 1.993 . . . . 24.219999999999999 109.456 177.147 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' TRP . . . . . 0.491 ' CD1' ' H11' ' A' ' 802' ' ' GOL . 30.5 m-90 -98.0 102.87 14.74 Favored 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 108.046 -1.094 . . . . 21.210000000000001 108.046 175.307 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 48.6 t -58.57 -39.32 75.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 CA-C-O 117.843 -1.075 . . . . 27.370000000000001 111.814 -175.236 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.73 -39.72 81.69 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 124.37 1.043 . . . . 24.0 113.376 173.378 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' TRP . . . . . 0.442 ' CD1' ' HB2' ' A' ' 115' ' ' CYS . 91.6 t90 -59.18 -45.5 90.87 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 118.126 -1.43 . . . . 20.940000000000001 113.615 170.301 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 61.9 ttp85 -64.19 -45.24 89.21 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.474 -0.766 . . . . 38.329999999999998 109.229 -179.416 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -90.33 7.96 35.84 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 117.336 2.347 . . . . 23.0 117.336 -175.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -147.72 -20.82 0.37 Allowed 'General case' 0 C--O 1.261 1.702 0 N-CA-C 114.783 1.401 . . . . 23.41 114.783 177.916 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' CYS . . . . . 0.442 ' HB2' ' CD1' ' A' ' 111' ' ' TRP . 62.6 m -113.74 -44.88 3.14 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 114.547 1.314 . . . . 21.75 114.547 -178.254 -56.789 -77.716 -93.98 102.367 2.053 102.187 -88.145 -174.573 2 2 . 1 . 001 ecloud build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -48.49 124.83 8.71 Favored 'General case' 0 C--O 1.25 1.13 0 CA-C-N 117.902 0.319 . . . . 22.510000000000002 111.171 -177.747 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 84.24 -8.42 67.66 Favored Glycine 0 C--N 1.339 0.744 0 O-C-N 125.909 2.005 . . . . 29.719999999999999 114.593 171.654 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 17.7 p -83.01 173.35 11.85 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 113.758 1.022 . . . . 25.329999999999998 113.758 175.977 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -78.89 72.64 5.42 Favored 'General case' 0 C--O 1.247 0.968 0 CA-C-O 122.843 1.306 . . . . 39.060000000000002 109.27 179.058 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 34.9 m -63.68 -20.9 27.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 114.728 -1.124 . . . . 25.469999999999999 111.955 -176.121 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' GLN . . . . . 0.447 ' NE2' HH21 ' A' ' 125' ' ' ARG . 1.0 OUTLIER -57.97 -27.16 63.2 Favored 'General case' 0 C--O 1.259 1.558 0 O-C-N 120.448 -1.407 . . . . 62.590000000000003 112.982 178.652 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -52.57 -31.93 38.59 Favored 'General case' 0 C--O 1.206 -1.204 0 N-CA-C 112.938 0.718 . . . . 23.84 112.938 175.426 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' TRP . . . . . 0.422 ' CH2' ' HG2' ' A' ' 33' ' ' LYS . 98.3 m95 -66.13 -19.85 65.97 Favored 'General case' 0 C--O 1.221 -0.399 0 N-CA-C 115.996 1.85 . . . . 26.43 115.996 -178.572 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 10.4 pt -113.71 6.1 7.83 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.646 0 O-C-N 121.732 -0.605 . . . . 32.210000000000001 109.995 177.368 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' ARG . . . . . 0.447 HH21 ' NE2' ' A' ' 121' ' ' GLN . 26.2 ttm180 -57.91 128.27 36.24 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.957 -0.757 . . . . 59.759999999999998 108.957 179.811 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 84.01 -5.31 80.09 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 117.271 1.668 . . . . 35.840000000000003 117.271 178.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 38.3 m -81.8 134.08 35.39 Favored 'General case' 0 C--O 1.259 1.568 0 N-CA-C 114.174 1.176 . . . . 32.869999999999997 114.174 -178.728 -52.115 -59.352 -69.549 106.281 1.991 106.222 -59.813 -66.403 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 51.0 ttt85 -77.06 104.29 7.47 Favored 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 105.707 -1.96 . . . . 52.649999999999999 105.707 169.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 81.8 mt . . . . . 0 C--O 1.242 0.68 0 CA-C-N 115.766 -0.652 . . . . 59.899999999999999 110.99 -175.828 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 801' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 802' ' ' GOL . . . . . 0.645 ' H12' ' O ' ' A' ' 924' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 803' ' ' GOL . . . . . 0.567 ' H11' ' OH ' ' A' ' 23' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 804' ' ' GOL . . . . . 0.599 ' O1 ' ' NZ ' ' A' ' 33' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 805' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 806' ' ' GOL . . . . . 0.641 ' H11' ' O ' ' A' ' 938' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 807' ' ' GOL . . . . . 0.531 ' H31' HD22 ' A' ' 37' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 808' ' ' GOL . . . . . 0.677 ' H32' ' CE1' ' A' ' 15' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 809' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 901' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 902' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 903' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 904' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 905' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 906' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 907' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 908' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 909' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 910' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 911' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 912' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 913' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 914' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 915' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 916' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 917' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 918' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 919' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 920' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 921' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 922' ' ' HOH . . . . . 0.428 ' O ' ' H32' ' A' ' 806' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 923' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 924' ' ' HOH . . . . . 0.645 ' O ' ' H12' ' A' ' 802' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 925' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 926' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 927' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 928' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 929' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 930' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 931' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 932' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 933' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 934' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 935' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 936' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 937' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 938' ' ' HOH . . . . . 0.641 ' O ' ' H11' ' A' ' 806' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 939' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 940' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 941' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 942' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 943' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 82.9 tttt . . . . . 0 N--CA 1.516 2.873 0 CA-C-O 118.125 -0.94 . . . . 39.189999999999998 112.622 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.6 t -104.57 107.3 22.14 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.573 0 O-C-N 125.185 1.553 . . . . 23.609999999999999 107.841 174.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -74.37 146.18 43.21 Favored 'General case' 0 CA--C 1.486 -1.506 0 CA-C-O 122.818 1.294 . . . . 24.420000000000002 109.893 -178.019 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.33 160.9 54.06 Favored Glycine 0 N--CA 1.433 -1.534 0 C-N-CA 118.851 -1.642 . . . . 25.82 114.188 155.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 64.3 ttp85 -54.2 -66.14 0.45 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 113.982 -1.109 . . . . 33.109999999999999 111.174 -177.245 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.8 m -63.7 -32.11 73.5 Favored 'General case' 0 C--O 1.211 -0.93 0 N-CA-C 113.785 1.032 . . . . 28.370000000000001 113.785 179.983 -66.403 -59.813 -69.549 106.222 1.991 106.281 -59.352 -52.115 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -57.79 -47.97 81.04 Favored 'General case' 0 CA--C 1.564 1.51 0 CA-C-O 122.467 1.127 . . . . 29.120000000000001 111.947 174.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 43.9 tp -65.55 -41.76 92.66 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 113.505 0.928 . . . . 21.73 113.505 176.285 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.13 -49.59 71.38 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 106.764 -1.569 . . . . 23.239999999999998 106.764 176.742 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.66 96.18 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.149 1.166 . . . . 26.800000000000001 114.149 178.801 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.86 -40.64 95.46 Favored 'General case' 0 C--O 1.236 0.377 0 O-C-N 121.452 -0.78 . . . . 25.969999999999999 110.541 178.051 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 29.3 mtt -65.47 -38.96 91.33 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 119.799 -0.76 . . . . 25.280000000000001 111.8 -179.103 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.0 tttt -66.88 -40.5 87.82 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 115.041 -0.982 . . . . 42.539999999999999 109.915 179.711 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -34.65 78.05 Favored 'General case' 0 C--O 1.212 -0.915 0 N-CA-C 107.583 -1.266 . . . . 59.329999999999998 107.583 -177.937 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.677 ' CE1' ' H32' ' A' ' 808' ' ' GOL . 75.5 m80 -94.93 16.9 14.9 Favored 'General case' 0 CA--C 1.493 -1.218 0 N-CA-C 113.762 1.023 . . . . 32.68 113.762 -178.776 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.7 15.21 79.92 Favored Glycine 0 N--CA 1.443 -0.869 0 N-CA-C 115.271 0.868 . . . . 29.920000000000002 115.271 166.368 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 tp -79.18 -17.97 53.91 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 116.221 1.934 . . . . 30.34 116.221 176.041 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -67.71 122.11 17.38 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 121.045 -1.035 . . . . 44.159999999999997 108.715 -173.679 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . 0.348 10.0 m-80 55.19 18.58 2.48 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 120.345 3.461 . . . . 44.82 120.345 -167.085 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -62.94 124.54 21.35 Favored 'General case' 0 N--CA 1.412 -2.326 0 CA-C-O 121.514 0.673 . . . . 26.800000000000001 109.904 176.444 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 54.17 26.32 6.55 Favored 'General case' 0 C--O 1.254 1.321 0 CA-C-N 115.79 -0.641 . . . . 47.659999999999997 112.412 -172.788 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.66 7.11 87.86 Favored Glycine 0 CA--C 1.485 -1.814 0 N-CA-C 117.444 1.738 . . . . 24.260000000000002 117.444 177.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.567 ' OH ' ' H11' ' A' ' 803' ' ' GOL . 96.4 m-85 -94.03 111.51 23.24 Favored 'General case' 0 CA--C 1.476 -1.875 0 N-CA-C 113.617 0.969 . . . . 20.449999999999999 113.617 176.034 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 89.2 p -57.42 157.43 6.68 Favored 'General case' 0 C--O 1.264 1.855 0 O-C-N 124.175 0.922 . . . . 24.420000000000002 112.457 178.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 24.5 tp -54.17 -37.46 64.49 Favored 'General case' 0 C--O 1.241 0.647 0 N-CA-C 115.745 1.757 . . . . 25.5 115.745 -179.302 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.01 -35.03 74.46 Favored Glycine 0 N--CA 1.508 3.434 0 CA-C-N 119.647 1.112 . . . . 23.52 111.773 176.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -61.16 -47.23 87.18 Favored 'General case' 0 N--CA 1.51 2.57 0 CA-C-N 118.378 1.089 . . . . 21.09 110.289 176.613 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -66.01 -41.6 90.79 Favored 'General case' 0 CA--C 1.498 -1.03 0 CA-C-N 115.294 -0.866 . . . . 21.370000000000001 112.231 179.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.4 t -64.03 -44.56 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 CA-C-N 119.471 1.032 . . . . 19.390000000000001 111.469 177.406 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 48.0 t -58.13 -49.77 75.84 Favored 'General case' 0 CA--C 1.562 1.411 0 CA-C-O 116.345 -1.788 . . . . 20.59 109.176 176.591 -174.573 -88.145 -93.98 102.187 2.053 102.367 -77.716 -56.789 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.23 -44.81 94.89 Favored 'General case' 0 C--O 1.261 1.675 0 O-C-N 125.684 1.865 . . . . 19.27 107.847 -178.784 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.5 98.99 Favored 'General case' 0 C--O 1.264 1.851 0 C-N-CA 118.437 -1.305 . . . . 17.359999999999999 112.88 -178.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.599 ' NZ ' ' O1 ' ' A' ' 804' ' ' GOL . 43.7 tptt -52.81 -48.68 66.75 Favored 'General case' 0 C--O 1.254 1.319 0 O-C-N 119.354 -2.091 . . . . 32.600000000000001 112.241 176.776 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -83.11 -24.05 32.79 Favored 'General case' 0 CA--C 1.511 -0.532 0 O-C-N 123.957 0.786 . . . . 21.199999999999999 112.496 -174.973 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -77.3 -44.56 29.22 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 117.758 -1.577 . . . . 19.300000000000001 113.885 175.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 91.4 p -132.19 -6.99 3.42 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 113.178 0.807 . . . . 19.140000000000001 113.178 -166.472 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.531 HD22 ' H31' ' A' ' 807' ' ' GOL . 35.0 t30 55.31 32.83 19.46 Favored 'General case' 0 C--O 1.249 1.076 0 O-C-N 121.072 -1.017 . . . . 26.289999999999999 111.176 -169.3 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 73.01 18.37 3.95 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 113.537 -1.665 . . . . 20.77 114.37 175.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 62.5 t-20 -98.67 112.04 24.22 Favored 'General case' 0 C--N 1.313 -0.99 0 C-N-CA 125.464 1.506 . . . . 24.23 110.112 -175.673 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 31.2 p -64.79 -21.24 66.73 Favored 'General case' 0 C--O 1.195 -1.777 0 CA-C-O 116.365 -1.778 . . . . 20.960000000000001 111.587 -178.067 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -94.87 7.16 46.85 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 124.356 1.035 . . . . 23.829999999999998 112.065 -173.929 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.26 128.26 35.86 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 123.796 0.838 . . . . 18.829999999999998 111.449 177.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 60.2 p -130.19 150.86 51.25 Favored 'General case' 0 CA--C 1.504 -0.825 0 N-CA-C 108.79 -0.818 . . . . 23.34 108.79 169.553 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -151.5 123.82 8.3 Favored 'General case' 0 C--O 1.191 -1.996 0 N-CA-C 107.279 -1.378 . . . . 36.619999999999997 107.279 178.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -77.85 138.04 38.72 Favored 'General case' 0 CA--C 1.498 -1.029 0 CA-C-N 115.414 -0.812 . . . . 36.189999999999998 111.369 174.489 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -95.49 159.64 14.9 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-N 114.75 -1.114 . . . . 34.170000000000002 110.397 176.417 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.7 p -57.57 -34.96 69.74 Favored 'General case' 0 C--O 1.264 1.821 0 N-CA-C 113.89 1.07 . . . . 40.460000000000001 113.89 -177.502 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -79.22 -0.77 33.45 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-N 112.314 -2.221 . . . . 39.039999999999999 113.74 -177.455 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.96 -3.85 81.13 Favored Glycine 0 C--O 1.249 1.068 0 O-C-N 125.812 1.945 . . . . 29.629999999999999 112.838 171.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 97.6 p -72.5 170.99 13.19 Favored 'General case' 0 CA--C 1.568 1.639 0 N-CA-C 104.845 -2.28 . . . . 25.09 104.845 169.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 60.5 m -131.9 147.75 52.49 Favored 'General case' 0 C--O 1.21 -0.974 0 CA-C-N 114.65 -1.159 . . . . 17.510000000000002 108.97 174.065 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -101.67 138.98 37.94 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 125.726 1.611 . . . . 34.530000000000001 108.167 175.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -129.42 133.88 47.57 Favored 'General case' 0 CA--C 1.562 1.419 0 N-CA-C 113.987 1.106 . . . . 19.109999999999999 113.987 -172.188 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.89 -171.97 54.08 Favored Glycine 0 CA--C 1.492 -1.399 0 N-CA-C 117.484 1.754 . . . . 17.649999999999999 117.484 168.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 39.7 pt -57.02 -27.57 27.21 Favored 'Isoleucine or valine' 0 C--O 1.254 1.334 0 N-CA-C 115.654 1.724 . . . . 27.050000000000001 115.654 -175.617 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.4 mt -111.75 12.56 21.05 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 115.128 1.529 . . . . 22.039999999999999 115.128 176.579 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 49.26 51.23 16.68 Favored 'General case' 0 CA--C 1.572 1.794 0 CA-C-O 122.947 1.356 . . . . 22.789999999999999 112.888 169.148 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.442 ' HB ' HD13 ' A' ' 83' ' ' LEU . 62.9 mt -76.4 128.98 37.62 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.278 0 C-N-CA 126.697 1.999 . . . . 23.600000000000001 110.979 179.683 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -90.54 142.51 27.67 Favored 'General case' 0 C--O 1.256 1.445 0 C-N-CA 126.044 1.738 . . . . 49.009999999999998 112.511 -164.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 77.5 p -79.58 -4.19 50.4 Favored 'General case' 0 C--O 1.181 -2.543 0 CA-C-O 117.652 -1.166 . . . . 26.780000000000001 113.141 -177.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -40.14 62.41 Favored 'General case' 0 N--CA 1.504 2.237 0 N-CA-C 107.113 -1.439 . . . . 56.859999999999999 107.113 -178.601 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -112.72 -33.1 6.22 Favored 'General case' 0 CA--C 1.477 -1.86 0 N-CA-C 121.205 3.78 . . . . 36.810000000000002 121.205 176.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 54.3 m95 -106.46 -30.33 9.15 Favored 'General case' 0 C--O 1.19 -2.029 0 N-CA-C 118.586 2.81 . . . . 23.940000000000001 118.586 -159.548 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.7 p -139.35 155.02 47.96 Favored 'General case' 0 C--O 1.25 1.083 0 N-CA-C 108.141 -1.059 . . . . 21.469999999999999 108.141 -174.432 62.555 83.389 94.055 103.333 1.996 105.165 -61.35 -65.48 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -95.38 122.27 37.92 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 115.297 1.591 . . . . 27.620000000000001 115.297 173.303 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 41.6 p30 -113.68 -0.27 14.34 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-O 117.365 -1.302 . . . . 19.77 113.838 171.971 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.55 -7.42 61.68 Favored Glycine 0 CA--C 1.476 -2.349 0 C-N-CA 119.296 -1.431 . . . . 24.93 113.908 175.008 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -133.63 21.53 3.93 Favored 'General case' 0 C--N 1.312 -1.037 0 O-C-N 119.603 -2.116 . . . . 26.699999999999999 114.497 -173.859 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 39.4 m -115.81 88.57 21.25 Favored Pre-proline 0 C--O 1.166 -3.293 0 N-CA-C 109.308 -0.627 . . . . 24.18 109.308 -179.794 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_exo -42.86 136.39 4.74 Favored 'Trans proline' 0 CA--C 1.491 -1.667 0 N-CA-C 117.454 2.059 . . . . 41.140000000000001 117.454 176.071 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.58 20.67 77.36 Favored Glycine 0 CA--C 1.486 -1.78 0 CA-C-N 111.714 -2.494 . . . . 40.469999999999999 109.046 162.674 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.5 p -93.81 168.59 10.89 Favored 'General case' 0 N--CA 1.437 -1.118 0 N-CA-C 108.38 -0.97 . . . . 37.759999999999998 108.38 -170.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 37.5 mmm-85 -111.81 177.95 4.48 Favored 'General case' 0 C--O 1.292 3.295 0 CA-C-N 113.874 -1.512 . . . . 39.890000000000001 112.701 165.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -140.7 67.19 1.36 Allowed 'General case' 0 N--CA 1.441 -0.879 0 C-N-CA 127.653 2.381 . . . . 26.190000000000001 110.568 -179.106 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 78.7 mt -74.84 -21.66 59.14 Favored 'General case' 0 CA--C 1.493 -1.223 0 CA-C-N 115.069 -0.969 . . . . 29.18 111.887 -168.926 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.452 ' HA ' ' HE3' ' A' ' 97' ' ' LYS . 85.2 m -86.19 -3.79 59.04 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 115.215 1.561 . . . . 23.879999999999999 115.215 173.94 -67.653 171.899 79.197 104.296 2.056 104.787 59.1 -173.409 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 50.37 55.93 8.72 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 125.084 1.49 . . . . 42.560000000000002 114.715 -177.005 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 10.2 pt -147.35 144.19 19.19 Favored Pre-proline 0 CA--C 1.492 -1.267 0 C-N-CA 124.159 0.983 . . . . 31.239999999999998 111.873 -178.418 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -62.8 138.49 69.26 Favored 'Trans proline' 0 C--O 1.247 0.941 0 O-C-N 123.833 1.438 . . . . 22.670000000000002 112.579 164.901 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 99.7 m -59.19 -29.2 67.3 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 116.116 -2.233 . . . . 21.059999999999999 112.707 -177.669 -65.48 -61.35 94.055 105.165 1.996 103.333 83.389 62.555 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 98.2 p -55.89 -24.89 39.96 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 114.913 1.449 . . . . 23.300000000000001 114.913 175.684 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.87 -22.2 65.99 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 121.781 0.8 . . . . 25.989999999999998 111.998 177.105 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.442 HD13 ' HB ' ' A' ' 58' ' ' ILE . 82.3 mt -79.58 -0.8 35.1 Favored 'General case' 0 CA--C 1.567 1.599 0 CA-C-N 115.433 -0.803 . . . . 24.850000000000001 111.244 179.256 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 70.7 mt -103.55 -0.21 30.05 Favored 'General case' 0 C--N 1.359 1.0 0 O-C-N 120.349 -1.469 . . . . 25.670000000000002 111.347 -178.831 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 46.6 t -63.16 151.44 40.24 Favored 'General case' 0 N--CA 1.417 -2.096 0 N-CA-C 115.047 1.499 . . . . 25.420000000000002 115.047 -175.159 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 94.0 p -62.33 -26.89 68.68 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 115.54 -0.754 . . . . 33.969999999999999 111.804 169.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -91.88 119.96 32.13 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.655 0.741 . . . . 41.829999999999998 109.368 175.646 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.4 pt -83.29 0.6 4.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-N 113.988 -1.46 . . . . 24.710000000000001 113.431 -169.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 92.5 m -49.9 -51.6 39.48 Favored 'General case' 0 CA--C 1.555 1.148 0 N-CA-C 113.993 1.108 . . . . 27.940000000000001 113.993 -178.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.71 -45.5 89.43 Favored 'General case' 0 C--O 1.265 1.872 0 O-C-N 119.966 -1.709 . . . . 24.329999999999998 111.437 -179.425 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.0 m -60.69 -47.52 85.88 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 119.08 -1.048 . . . . 22.300000000000001 111.946 -179.732 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 42.6 t -61.91 -45.63 98.28 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.945 0 CA-C-O 122.482 1.134 . . . . 22.210000000000001 110.595 -178.507 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -64.68 -35.78 82.13 Favored 'General case' 0 C--N 1.318 -0.773 0 O-C-N 119.531 -1.981 . . . . 33.829999999999998 111.24 -178.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 48.9 t -72.47 -39.69 67.55 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 114.093 1.146 . . . . 22.75 114.093 176.196 -173.409 59.1 79.197 104.787 2.056 104.296 171.899 -67.653 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.18 -38.51 73.74 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.704 1.202 . . . . 21.469999999999999 110.615 171.565 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -60.92 -40.73 94.31 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 117.645 -1.622 . . . . 27.800000000000001 111.885 176.57 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.452 ' HE3' ' HA ' ' A' ' 76' ' ' CYS . 1.3 ttmm -65.93 -41.82 90.85 Favored 'General case' 0 C--O 1.245 0.86 0 CA-C-O 121.997 0.903 . . . . 42.609999999999999 110.826 177.312 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 59.7 mt -62.06 -49.57 83.55 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.523 0 N-CA-C 109.399 -0.593 . . . . 21.969999999999999 109.399 -177.36 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 8.1 p -69.92 -13.54 17.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 N-CA-C 113.915 1.08 . . . . 24.719999999999999 113.915 -175.5 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 39.2 m -90.32 -3.98 57.41 Favored 'General case' 0 C--O 1.205 -1.246 0 N-CA-C 114.257 1.206 . . . . 27.91 114.257 174.407 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -74.52 -8.76 57.39 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 114.419 1.266 . . . . 46.030000000000001 114.419 -169.804 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 131.78 -33.13 2.79 Favored Glycine 0 N--CA 1.469 0.837 0 C-N-CA 120.406 -0.902 . . . . 29.550000000000001 114.407 175.305 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -108.32 13.75 25.41 Favored 'General case' 0 C--O 1.243 0.748 0 N-CA-C 113.19 0.811 . . . . 39.380000000000003 113.19 -173.592 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.41 ' HA3' ' H32' ' A' ' 803' ' ' GOL . . . 59.61 -144.18 46.13 Favored Glycine 0 N--CA 1.413 -2.836 0 N-CA-C 108.021 -2.032 . . . . 20.530000000000001 108.021 174.482 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 68.5 mtp -78.54 -3.71 45.03 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 113.722 -1.239 . . . . 20.0 112.206 -175.536 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -60.63 -18.49 53.67 Favored 'General case' 0 C--O 1.255 1.349 0 O-C-N 124.287 0.992 . . . . 24.190000000000001 111.947 175.245 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.4 -27.88 64.69 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 125.888 1.993 . . . . 24.219999999999999 109.456 177.147 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.491 ' CD1' ' H11' ' A' ' 802' ' ' GOL . 30.5 m-90 -98.0 102.87 14.74 Favored 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 108.046 -1.094 . . . . 21.210000000000001 108.046 175.307 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 48.6 t -58.57 -39.32 75.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 CA-C-O 117.843 -1.075 . . . . 27.370000000000001 111.814 -175.236 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.73 -39.72 81.69 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 124.37 1.043 . . . . 24.0 113.376 173.378 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.442 ' CD1' ' HB2' ' A' ' 115' ' ' CYS . 91.6 t90 -59.18 -45.5 90.87 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 118.126 -1.43 . . . . 20.940000000000001 113.615 170.301 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 61.9 ttp85 -64.19 -45.24 89.21 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.474 -0.766 . . . . 38.329999999999998 109.229 -179.416 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -90.33 7.96 35.84 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 117.336 2.347 . . . . 23.0 117.336 -175.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -147.72 -20.82 0.37 Allowed 'General case' 0 C--O 1.261 1.702 0 N-CA-C 114.783 1.401 . . . . 23.41 114.783 177.916 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.442 ' HB2' ' CD1' ' A' ' 111' ' ' TRP . 62.6 m -113.74 -44.88 3.14 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 114.547 1.314 . . . . 21.75 114.547 -178.254 -56.789 -77.716 -93.98 102.367 2.053 102.187 -88.145 -174.573 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -48.49 124.83 8.71 Favored 'General case' 0 C--O 1.25 1.13 0 CA-C-N 117.902 0.319 . . . . 22.510000000000002 111.171 -177.747 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 84.24 -8.42 67.66 Favored Glycine 0 C--N 1.339 0.744 0 O-C-N 125.909 2.005 . . . . 29.719999999999999 114.593 171.654 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 17.7 p -83.01 173.35 11.85 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 113.758 1.022 . . . . 25.329999999999998 113.758 175.977 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -78.89 72.64 5.42 Favored 'General case' 0 C--O 1.247 0.968 0 CA-C-O 122.843 1.306 . . . . 39.060000000000002 109.27 179.058 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 34.9 m -63.68 -20.9 27.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 114.728 -1.124 . . . . 25.469999999999999 111.955 -176.121 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.447 ' NE2' HH21 ' A' ' 125' ' ' ARG . 1.0 OUTLIER -57.97 -27.16 63.2 Favored 'General case' 0 C--O 1.259 1.558 0 O-C-N 120.448 -1.407 . . . . 62.590000000000003 112.982 178.652 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -52.57 -31.93 38.59 Favored 'General case' 0 C--O 1.206 -1.204 0 N-CA-C 112.938 0.718 . . . . 23.84 112.938 175.426 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.422 ' CH2' ' HG2' ' A' ' 33' ' ' LYS . 98.3 m95 -66.13 -19.85 65.97 Favored 'General case' 0 C--O 1.221 -0.399 0 N-CA-C 115.996 1.85 . . . . 26.43 115.996 -178.572 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 10.4 pt -113.71 6.1 7.83 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.646 0 O-C-N 121.732 -0.605 . . . . 32.210000000000001 109.995 177.368 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.447 HH21 ' NE2' ' A' ' 121' ' ' GLN . 26.2 ttm180 -57.91 128.27 36.24 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.957 -0.757 . . . . 59.759999999999998 108.957 179.811 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 84.01 -5.31 80.09 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 117.271 1.668 . . . . 35.840000000000003 117.271 178.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 38.3 m -81.8 134.08 35.39 Favored 'General case' 0 C--O 1.259 1.568 0 N-CA-C 114.174 1.176 . . . . 32.869999999999997 114.174 -178.728 -52.115 -59.352 -69.549 106.281 1.991 106.222 -59.813 -66.403 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 51.0 ttt85 -77.06 104.29 7.47 Favored 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 105.707 -1.96 . . . . 52.649999999999999 105.707 169.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 81.8 mt . . . . . 0 C--O 1.242 0.68 0 CA-C-N 115.766 -0.652 . . . . 59.899999999999999 110.99 -175.828 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 801' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 802' ' ' GOL . . . . . 0.645 ' H12' ' O ' ' A' ' 924' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 803' ' ' GOL . . . . . 0.567 ' H11' ' OH ' ' A' ' 23' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 804' ' ' GOL . . . . . 0.599 ' O1 ' ' NZ ' ' A' ' 33' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 805' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 806' ' ' GOL . . . . . 0.641 ' H11' ' O ' ' A' ' 938' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 807' ' ' GOL . . . . . 0.531 ' H31' HD22 ' A' ' 37' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 808' ' ' GOL . . . . . 0.677 ' H32' ' CE1' ' A' ' 15' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 809' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 901' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 902' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 903' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 904' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 905' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 906' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 907' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 908' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 909' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 910' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 911' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 912' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 913' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 914' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 915' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 916' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 917' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 918' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 919' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 920' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 921' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 922' ' ' HOH . . . . . 0.428 ' O ' ' H32' ' A' ' 806' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 923' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 924' ' ' HOH . . . . . 0.645 ' O ' ' H12' ' A' ' 802' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 925' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 926' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 927' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 928' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 929' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 930' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 931' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 932' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 933' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 934' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 935' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 936' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 937' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 938' ' ' HOH . . . . . 0.641 ' O ' ' H11' ' A' ' 806' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 939' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 940' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 941' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 942' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 943' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_