data_1bpt_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 1bpt _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' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 409' ' ' HOH . 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.68 0 N-CA-C 108.569 -0.9 . . . . 51.16 108.569 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -53.02 149.31 27.28 Favored 'Trans proline' 0 C--O 1.245 0.869 0 C-N-CA 123.642 2.895 . . . . 27.15 109.26 176.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -63.57 -28.71 70.12 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 116.829 -1.558 . . . . 43.78 113.813 -176.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -72.82 -14.55 61.53 Favored 'General case' 0 C--O 1.242 0.707 0 O-C-N 125.969 2.043 . . . . 15.82 110.44 -177.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 84.2 m -66.94 -22.44 65.94 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-O 123.632 1.682 . . . . 12.16 112.843 176.754 -67.465 -71.763 -75.128 106.485 1.997 110.539 -65.322 -63.999 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.2 mp -89.51 -6.08 56.71 Favored 'General case' 0 C--O 1.271 2.232 1 O-C-N 116.138 -4.102 . . . . 16.39 110.623 176.46 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -70.17 146.61 94.9 Favored Pre-proline 0 C--N 1.302 -1.484 0 CA-C-O 115.851 -2.023 . . . . 29.04 111.336 177.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -74.72 155.24 44.31 Favored 'Trans proline' 0 CA--C 1.547 1.13 0 O-C-N 128.299 3.789 . . . . 11.83 106.013 173.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_endo -65.28 147.75 88.02 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 CA-C-O 123.8 1.5 . . . . 9.21 108.696 177.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -124.82 112.84 17.15 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 120.026 -1.671 . . . . 18.91 111.306 179.033 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.1 m -71.26 -48.95 47.9 Favored 'General case' 0 C--O 1.252 1.199 0 O-C-N 127.145 2.778 . . . . 11.9 108.509 178.234 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.1 177.79 46.08 Favored Glycine 0 CA--C 1.542 1.719 0 N-CA-C 106.23 -2.748 . . . . 12.57 106.23 177.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -83.42 -10.31 9.93 Favored 'Trans proline' 0 N--CA 1.421 -2.785 0 N-CA-C 120.31 3.158 . . . . 12.73 120.31 -175.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 96.4 m -82.91 163.67 20.95 Favored 'General case' 0 N--CA 1.489 1.504 0 CA-C-O 123.929 1.823 . . . . 13.02 109.235 178.992 -69.033 99.621 87.602 106.159 2.051 107.266 -117.172 74.1 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.91 27.12 9.55 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 119.983 3.327 . . . . 25.63 119.983 -173.57 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.36 168.97 10.94 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 105.355 -2.091 . . . . 11.74 105.355 173.864 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -118.58 94.19 4.38 Favored 'General case' 0 CA--C 1.564 1.489 0 N-CA-C 104.372 -2.455 . . . . 18.94 104.372 175.408 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.8 mt -116.3 124.69 72.81 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 O-C-N 126.26 2.225 . . . . 13.44 109.126 177.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.6 mp -91.78 123.82 44.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 117.194 -1.802 . . . . 16.15 108.877 -179.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.0 mmm-85 -126.56 175.9 7.58 Favored 'General case' 0 C--O 1.255 1.367 0 O-C-N 125.711 1.882 . . . . 20.52 110.001 177.579 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -114.96 143.79 44.6 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 126.338 2.274 . . . . 17.41 110.747 176.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -131.74 149.88 52.33 Favored 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 128.314 2.646 . . . . 10.45 105.742 175.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -90.77 127.96 36.52 Favored 'General case' 0 CA--C 1.556 1.175 0 N-CA-C 104.264 -2.495 . . . . 9.37 104.264 178.543 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -106.22 84.87 2.1 Favored 'General case' 0 C--N 1.28 -2.414 0 C-N-CA 130.039 3.336 . . . . 31.83 108.292 179.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.55 -27.45 4.44 Favored 'General case' 0 N--CA 1.433 -1.3 0 C-N-CA 131.203 3.801 . . . . 21.07 111.341 -178.257 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -79.1 -45.81 19.31 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 129.275 3.03 . . . . 29.92 112.065 179.956 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.02 -5.94 46.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 125.983 2.052 . . . . 23.87 113.065 -179.168 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.19 18.96 67.73 Favored Glycine 0 N--CA 1.432 -1.624 0 C-N-CA 124.169 0.89 . . . . 18.84 112.99 178.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . 0.478 0.2 OUTLIER -120.3 165.87 14.27 Favored 'General case' 0 C--N 1.316 -0.875 0 C-N-CA 127.246 2.218 . . . . 23.29 116.85 179.811 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 57.7 m -106.62 123.4 48.06 Favored 'General case' 0 CA--C 1.569 1.704 0 N-CA-C 102.386 -3.191 . . . . 15.3 102.386 172.47 -74.613 -103.281 -89.359 103.947 2.048 100.15 -94.761 -179.302 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -124.78 160.23 29.17 Favored 'General case' 0 C--N 1.293 -1.872 0 O-C-N 125.377 1.673 . . . . 16.64 108.101 -178.836 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.06 138.28 34.86 Favored 'General case' 0 C--N 1.279 -2.494 1 C-N-CA 132.387 4.275 . . . . 16.76 109.904 -179.862 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -145.32 166.7 24.78 Favored 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 103.173 -2.899 . . . . 7.37 103.173 176.25 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.9 t -94.72 112.5 27.4 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.909 1 O-C-N 130.133 4.646 . . . . 15.65 110.502 179.887 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -97.25 128.13 43.83 Favored 'General case' 0 C--O 1.259 1.589 0 O-C-N 127.663 3.102 . . . . 13.53 108.054 179.419 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.96 -17.92 61.56 Favored Glycine 0 C--N 1.291 -1.932 1 C-N-CA 131.03 4.157 . . . . 11.89 117.281 -179.28 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 107.17 -11.48 40.33 Favored Glycine 0 N--CA 1.496 2.688 0 O-C-N 118.782 -2.599 . . . . 12.05 113.166 177.277 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.2 p -153.18 148.72 27.23 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 119.189 -1.004 . . . . 11.97 111.859 -179.95 74.1 -117.172 87.602 107.266 2.051 106.159 99.621 -69.033 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.6 mtp180 72.36 37.41 0.93 Allowed 'General case' 0 CA--C 1.508 -0.643 0 O-C-N 126.454 2.346 . . . . 34.96 115.578 174.091 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.96 143.4 21.82 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-N 113.124 -1.853 . . . . 10.08 108.827 177.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -105.69 -179.78 4.04 Favored 'General case' 1 C--O 1.309 4.186 0 N-CA-C 105.663 -1.977 . . . . 35.07 105.663 176.007 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.2 -36.76 72.03 Favored 'General case' 0 C--O 1.273 2.309 0 O-C-N 118.602 -2.561 . . . . 27.18 117.037 -176.86 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -76.65 68.77 2.96 Favored 'General case' 0 C--N 1.276 -2.591 0 CA-C-N 120.196 1.362 . . . . 6.01 107.834 179.056 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.81 108.5 2.89 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 126.177 1.791 . . . . 9.31 107.926 -177.397 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -116.99 153.63 32.32 Favored 'General case' 0 N--CA 1.443 -0.776 0 C-N-CA 126.298 1.839 . . . . 8.57 110.883 -179.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . 0.256 39.1 mttp -88.0 -20.5 25.75 Favored 'General case' 0 CA--C 1.505 -0.762 0 O-C-N 124.771 1.294 . . . . 39.51 109.88 178.487 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 53.4 p -142.92 159.94 41.29 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 106.243 -1.762 . . . . 10.87 106.243 176.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.03 -34.72 78.66 Favored 'General case' 0 C--N 1.302 -1.486 1 O-C-N 129.584 4.303 . . . . 14.7 111.43 177.367 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -64.09 -46.24 85.14 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 128.619 2.767 . . . . 40.58 113.455 179.528 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . 0.27 0.6 OUTLIER -59.89 -47.03 87.41 Favored 'General case' 0 C--N 1.293 -1.869 0 C-N-CA 126.633 1.973 . . . . 29.45 106.917 174.221 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 53.8 t -62.09 -48.9 78.14 Favored 'General case' 0 C--O 1.274 2.383 0 CA-C-O 123.776 1.75 . . . . 10.99 112.84 179.198 -179.302 -94.761 -89.359 100.15 2.048 103.947 -103.281 -74.613 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 61.1 mmm -65.06 -39.7 93.66 Favored 'General case' 0 C--O 1.256 1.419 0 O-C-N 120.696 -1.253 . . . . 36.21 112.459 177.929 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.0 ttp-105 -65.18 -46.49 80.56 Favored 'General case' 0 C--O 1.253 1.289 0 C-N-CA 118.447 -1.301 . . . . 23.67 108.806 178.762 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.7 m -69.44 -48.9 59.45 Favored 'General case' 0 C--O 1.246 0.894 0 N-CA-C 116.037 1.865 . . . . 15.94 116.037 -178.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 80.4 m -114.11 -10.18 12.84 Favored 'General case' 0 C--O 1.25 1.129 1 N-CA-C 122.661 4.319 . . . . 18.9 122.661 -178.577 -63.999 -65.322 -75.128 110.539 1.997 106.485 -71.763 -67.465 2 2 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.294 -1.762 0 CA-C-N 124.51 3.323 . . . . 36.32 115.128 -176.037 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' PO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 200' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 400' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 401' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 402' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 403' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 404' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 405' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 406' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 407' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 408' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 409' ' ' HOH . . . . . 0.488 ' O ' ' N ' ' A' ' 1' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 410' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 411' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 412' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 413' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 414' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 415' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 416' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 417' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 418' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ARG . . . . . 0.829 HH11 ' HB3' ' A' ' 5' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.68 0 N-CA-C 108.569 -0.9 . . . . 51.16 108.569 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -53.02 149.31 27.28 Favored 'Trans proline' 0 C--O 1.245 0.869 0 C-N-CA 123.642 2.895 . . . . 27.15 109.26 176.166 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -63.57 -28.71 70.12 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 116.829 -1.558 . . . . 43.78 113.813 -176.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -72.82 -14.55 61.53 Favored 'General case' 0 C--O 1.242 0.707 0 O-C-N 125.969 2.043 . . . . 15.82 110.44 -177.381 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' CYS . . . . . 0.829 ' HB3' HH11 ' A' ' 1' ' ' ARG . 84.2 m -66.94 -22.44 65.94 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-O 123.632 1.682 . . . . 12.16 112.843 176.754 -67.465 -71.763 -75.128 106.485 1.997 110.539 -65.322 -63.999 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.2 mp -89.51 -6.08 56.71 Favored 'General case' 0 C--O 1.271 2.232 1 O-C-N 116.138 -4.102 . . . . 16.39 110.623 176.46 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -70.17 146.61 94.9 Favored Pre-proline 0 C--N 1.302 -1.484 0 CA-C-O 115.851 -2.023 . . . . 29.04 111.336 177.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -74.72 155.24 44.31 Favored 'Trans proline' 0 CA--C 1.547 1.13 0 O-C-N 128.299 3.789 . . . . 11.83 106.013 173.337 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' PRO . . . . . 0.574 ' HG3' ' CE2' ' A' ' 22' ' ' PHE . 3.5 Cg_endo -65.28 147.75 88.02 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 CA-C-O 123.8 1.5 . . . . 9.21 108.696 177.895 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -124.82 112.84 17.15 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 120.026 -1.671 . . . . 18.91 111.306 179.033 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.1 m -71.26 -48.95 47.9 Favored 'General case' 0 C--O 1.252 1.199 0 O-C-N 127.145 2.778 . . . . 11.9 108.509 178.234 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.1 177.79 46.08 Favored Glycine 0 CA--C 1.542 1.719 0 N-CA-C 106.23 -2.748 . . . . 12.57 106.23 177.846 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -83.42 -10.31 9.93 Favored 'Trans proline' 0 N--CA 1.421 -2.785 0 N-CA-C 120.31 3.158 . . . . 12.73 120.31 -175.474 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 96.4 m -82.91 163.67 20.95 Favored 'General case' 0 N--CA 1.489 1.504 0 CA-C-O 123.929 1.823 . . . . 13.02 109.235 178.992 -69.033 99.621 87.602 106.159 2.051 107.266 -117.172 74.1 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.91 27.12 9.55 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 119.983 3.327 . . . . 25.63 119.983 -173.57 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.36 168.97 10.94 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 105.355 -2.091 . . . . 11.74 105.355 173.864 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -118.58 94.19 4.38 Favored 'General case' 0 CA--C 1.564 1.489 0 N-CA-C 104.372 -2.455 . . . . 18.94 104.372 175.408 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.8 mt -116.3 124.69 72.81 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 O-C-N 126.26 2.225 . . . . 13.44 109.126 177.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ILE . . . . . 0.516 ' N ' HD12 ' A' ' 19' ' ' ILE . 3.6 mp -91.78 123.82 44.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 117.194 -1.802 . . . . 16.15 108.877 -179.38 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.0 mmm-85 -126.56 175.9 7.58 Favored 'General case' 0 C--O 1.255 1.367 0 O-C-N 125.711 1.882 . . . . 20.52 110.001 177.579 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -114.96 143.79 44.6 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 126.338 2.274 . . . . 17.41 110.747 176.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' PHE . . . . . 0.574 ' CE2' ' HG3' ' A' ' 9' ' ' PRO . 8.4 p90 -131.74 149.88 52.33 Favored 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 128.314 2.646 . . . . 10.45 105.742 175.908 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -90.77 127.96 36.52 Favored 'General case' 0 CA--C 1.556 1.175 0 N-CA-C 104.264 -2.495 . . . . 9.37 104.264 178.543 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -106.22 84.87 2.1 Favored 'General case' 0 C--N 1.28 -2.414 0 C-N-CA 130.039 3.336 . . . . 31.83 108.292 179.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.55 -27.45 4.44 Favored 'General case' 0 N--CA 1.433 -1.3 0 C-N-CA 131.203 3.801 . . . . 21.07 111.341 -178.257 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -79.1 -45.81 19.31 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 129.275 3.03 . . . . 29.92 112.065 179.956 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ALA . . . . . 0.543 ' HB1' HD22 ' A' ' 29' ' ' LEU . . . -94.02 -5.94 46.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 125.983 2.052 . . . . 23.87 113.065 -179.168 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLY . . . . . 0.58 ' HA3' ' O ' ' A' ' 402' ' ' HOH . . . 66.19 18.96 67.73 Favored Glycine 0 N--CA 1.432 -1.624 0 C-N-CA 124.169 0.89 . . . . 18.84 112.99 178.67 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LEU . . . . . 0.543 HD22 ' HB1' ' A' ' 27' ' ' ALA 0.478 0.2 OUTLIER -120.3 165.87 14.27 Favored 'General case' 0 C--N 1.316 -0.875 0 C-N-CA 127.246 2.218 . . . . 23.29 116.85 179.811 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 57.7 m -106.62 123.4 48.06 Favored 'General case' 0 CA--C 1.569 1.704 0 N-CA-C 102.386 -3.191 . . . . 15.3 102.386 172.47 -74.613 -103.281 -89.359 103.947 2.048 100.15 -94.761 -179.302 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -124.78 160.23 29.17 Favored 'General case' 0 C--N 1.293 -1.872 0 O-C-N 125.377 1.673 . . . . 16.64 108.101 -178.836 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.06 138.28 34.86 Favored 'General case' 0 C--N 1.279 -2.494 1 C-N-CA 132.387 4.275 . . . . 16.76 109.904 -179.862 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -145.32 166.7 24.78 Favored 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 103.173 -2.899 . . . . 7.37 103.173 176.25 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.9 t -94.72 112.5 27.4 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.909 1 O-C-N 130.133 4.646 . . . . 15.65 110.502 179.887 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -97.25 128.13 43.83 Favored 'General case' 0 C--O 1.259 1.589 0 O-C-N 127.663 3.102 . . . . 13.53 108.054 179.419 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.96 -17.92 61.56 Favored Glycine 0 C--N 1.291 -1.932 1 C-N-CA 131.03 4.157 . . . . 11.89 117.281 -179.28 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 107.17 -11.48 40.33 Favored Glycine 0 N--CA 1.496 2.688 0 O-C-N 118.782 -2.599 . . . . 12.05 113.166 177.277 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.2 p -153.18 148.72 27.23 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 119.189 -1.004 . . . . 11.97 111.859 -179.95 74.1 -117.172 87.602 107.266 2.051 106.159 99.621 -69.033 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.6 mtp180 72.36 37.41 0.93 Allowed 'General case' 0 CA--C 1.508 -0.643 0 O-C-N 126.454 2.346 . . . . 34.96 115.578 174.091 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.96 143.4 21.82 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-N 113.124 -1.853 . . . . 10.08 108.827 177.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -105.69 -179.78 4.04 Favored 'General case' 1 C--O 1.309 4.186 0 N-CA-C 105.663 -1.977 . . . . 35.07 105.663 176.007 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.2 -36.76 72.03 Favored 'General case' 0 C--O 1.273 2.309 0 O-C-N 118.602 -2.561 . . . . 27.18 117.037 -176.86 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -76.65 68.77 2.96 Favored 'General case' 0 C--N 1.276 -2.591 0 CA-C-N 120.196 1.362 . . . . 6.01 107.834 179.056 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -154.81 108.5 2.89 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 126.177 1.791 . . . . 9.31 107.926 -177.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -116.99 153.63 32.32 Favored 'General case' 0 N--CA 1.443 -0.776 0 C-N-CA 126.298 1.839 . . . . 8.57 110.883 -179.353 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . 0.256 39.1 mttp -88.0 -20.5 25.75 Favored 'General case' 0 CA--C 1.505 -0.762 0 O-C-N 124.771 1.294 . . . . 39.51 109.88 178.487 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 53.4 p -142.92 159.94 41.29 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 106.243 -1.762 . . . . 10.87 106.243 176.786 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ALA . . . . . 0.452 ' O ' ' HG2' ' A' ' 52' ' ' MET . . . -64.03 -34.72 78.66 Favored 'General case' 0 C--N 1.302 -1.486 1 O-C-N 129.584 4.303 . . . . 14.7 111.43 177.367 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -64.09 -46.24 85.14 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 128.619 2.767 . . . . 40.58 113.455 179.528 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . 0.27 0.6 OUTLIER -59.89 -47.03 87.41 Favored 'General case' 0 C--N 1.293 -1.869 0 C-N-CA 126.633 1.973 . . . . 29.45 106.917 174.221 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 53.8 t -62.09 -48.9 78.14 Favored 'General case' 0 C--O 1.274 2.383 0 CA-C-O 123.776 1.75 . . . . 10.99 112.84 179.198 -179.302 -94.761 -89.359 100.15 2.048 103.947 -103.281 -74.613 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' MET . . . . . 0.452 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 61.1 mmm -65.06 -39.7 93.66 Favored 'General case' 0 C--O 1.256 1.419 0 O-C-N 120.696 -1.253 . . . . 36.21 112.459 177.929 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.0 ttp-105 -65.18 -46.49 80.56 Favored 'General case' 0 C--O 1.253 1.289 0 C-N-CA 118.447 -1.301 . . . . 23.67 108.806 178.762 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.7 m -69.44 -48.9 59.45 Favored 'General case' 0 C--O 1.246 0.894 0 N-CA-C 116.037 1.865 . . . . 15.94 116.037 -178.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 80.4 m -114.11 -10.18 12.84 Favored 'General case' 0 C--O 1.25 1.129 1 N-CA-C 122.661 4.319 . . . . 18.9 122.661 -178.577 -63.999 -65.322 -75.128 110.539 1.997 106.485 -71.763 -67.465 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.294 -1.762 0 CA-C-N 124.51 3.323 . . . . 36.32 115.128 -176.037 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 70' ' ' PO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 200' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 400' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 401' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 402' ' ' HOH . . . . . 0.58 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 403' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 404' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 405' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 406' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 407' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 408' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 409' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 410' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 411' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 412' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 413' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 414' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 415' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 416' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 417' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 418' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.829 HH11 ' HB3' ' A' ' 5' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.68 0 N-CA-C 108.569 -0.9 . . . . 51.16 108.569 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -53.02 149.31 27.28 Favored 'Trans proline' 0 C--O 1.245 0.869 0 C-N-CA 123.642 2.895 . . . . 27.15 109.26 176.166 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -63.57 -28.71 70.12 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 116.829 -1.558 . . . . 43.78 113.813 -176.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -72.82 -14.55 61.53 Favored 'General case' 0 C--O 1.242 0.707 0 O-C-N 125.969 2.043 . . . . 15.82 110.44 -177.381 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.829 ' HB3' HH11 ' A' ' 1' ' ' ARG . 84.2 m -66.94 -22.44 65.94 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-O 123.632 1.682 . . . . 12.16 112.843 176.754 -67.465 -71.763 -75.128 106.485 1.997 110.539 -65.322 -63.999 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.2 mp -89.51 -6.08 56.71 Favored 'General case' 0 C--O 1.271 2.232 1 O-C-N 116.138 -4.102 . . . . 16.39 110.623 176.46 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -70.17 146.61 94.9 Favored Pre-proline 0 C--N 1.302 -1.484 0 CA-C-O 115.851 -2.023 . . . . 29.04 111.336 177.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -74.72 155.24 44.31 Favored 'Trans proline' 0 CA--C 1.547 1.13 0 O-C-N 128.299 3.789 . . . . 11.83 106.013 173.337 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.574 ' HG3' ' CE2' ' A' ' 22' ' ' PHE . 3.5 Cg_endo -65.28 147.75 88.02 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 CA-C-O 123.8 1.5 . . . . 9.21 108.696 177.895 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -124.82 112.84 17.15 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 120.026 -1.671 . . . . 18.91 111.306 179.033 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.1 m -71.26 -48.95 47.9 Favored 'General case' 0 C--O 1.252 1.199 0 O-C-N 127.145 2.778 . . . . 11.9 108.509 178.234 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.1 177.79 46.08 Favored Glycine 0 CA--C 1.542 1.719 0 N-CA-C 106.23 -2.748 . . . . 12.57 106.23 177.846 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -83.42 -10.31 9.93 Favored 'Trans proline' 0 N--CA 1.421 -2.785 0 N-CA-C 120.31 3.158 . . . . 12.73 120.31 -175.474 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 96.4 m -82.91 163.67 20.95 Favored 'General case' 0 N--CA 1.489 1.504 0 CA-C-O 123.929 1.823 . . . . 13.02 109.235 178.992 -69.033 99.621 87.602 106.159 2.051 107.266 -117.172 74.1 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.91 27.12 9.55 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 119.983 3.327 . . . . 25.63 119.983 -173.57 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.36 168.97 10.94 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 105.355 -2.091 . . . . 11.74 105.355 173.864 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -118.58 94.19 4.38 Favored 'General case' 0 CA--C 1.564 1.489 0 N-CA-C 104.372 -2.455 . . . . 18.94 104.372 175.408 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.8 mt -116.3 124.69 72.81 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 O-C-N 126.26 2.225 . . . . 13.44 109.126 177.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.516 ' N ' HD12 ' A' ' 19' ' ' ILE . 3.6 mp -91.78 123.82 44.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 117.194 -1.802 . . . . 16.15 108.877 -179.38 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.481 HH21 HD21 ' A' ' 44' ' ' ASN . 5.0 mmm-85 -126.56 175.9 7.58 Favored 'General case' 0 C--O 1.255 1.367 0 O-C-N 125.711 1.882 . . . . 20.52 110.001 177.579 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -114.96 143.79 44.6 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 126.338 2.274 . . . . 17.41 110.747 176.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.574 ' CE2' ' HG3' ' A' ' 9' ' ' PRO . 8.4 p90 -131.74 149.88 52.33 Favored 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 128.314 2.646 . . . . 10.45 105.742 175.908 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -90.77 127.96 36.52 Favored 'General case' 0 CA--C 1.556 1.175 0 N-CA-C 104.264 -2.495 . . . . 9.37 104.264 178.543 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -106.22 84.87 2.1 Favored 'General case' 0 C--N 1.28 -2.414 0 C-N-CA 130.039 3.336 . . . . 31.83 108.292 179.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.55 -27.45 4.44 Favored 'General case' 0 N--CA 1.433 -1.3 0 C-N-CA 131.203 3.801 . . . . 21.07 111.341 -178.257 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -79.1 -45.81 19.31 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 129.275 3.03 . . . . 29.92 112.065 179.956 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.543 ' HB1' HD22 ' A' ' 29' ' ' LEU . . . -94.02 -5.94 46.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 125.983 2.052 . . . . 23.87 113.065 -179.168 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.58 ' HA3' ' O ' ' A' ' 402' ' ' HOH . . . 66.19 18.96 67.73 Favored Glycine 0 N--CA 1.432 -1.624 0 C-N-CA 124.169 0.89 . . . . 18.84 112.99 178.67 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.543 HD22 ' HB1' ' A' ' 27' ' ' ALA 0.478 0.2 OUTLIER -120.3 165.87 14.27 Favored 'General case' 0 C--N 1.316 -0.875 0 C-N-CA 127.246 2.218 . . . . 23.29 116.85 179.811 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 57.7 m -106.62 123.4 48.06 Favored 'General case' 0 CA--C 1.569 1.704 0 N-CA-C 102.386 -3.191 . . . . 15.3 102.386 172.47 -74.613 -103.281 -89.359 103.947 2.048 100.15 -94.761 -179.302 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -124.78 160.23 29.17 Favored 'General case' 0 C--N 1.293 -1.872 0 O-C-N 125.377 1.673 . . . . 16.64 108.101 -178.836 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.06 138.28 34.86 Favored 'General case' 0 C--N 1.279 -2.494 1 C-N-CA 132.387 4.275 . . . . 16.76 109.904 -179.862 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -145.32 166.7 24.78 Favored 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 103.173 -2.899 . . . . 7.37 103.173 176.25 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.9 t -94.72 112.5 27.4 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.909 1 O-C-N 130.133 4.646 . . . . 15.65 110.502 179.887 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -97.25 128.13 43.83 Favored 'General case' 0 C--O 1.259 1.589 0 O-C-N 127.663 3.102 . . . . 13.53 108.054 179.419 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.96 -17.92 61.56 Favored Glycine 0 C--N 1.291 -1.932 1 C-N-CA 131.03 4.157 . . . . 11.89 117.281 -179.28 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 107.17 -11.48 40.33 Favored Glycine 0 N--CA 1.496 2.688 0 O-C-N 118.782 -2.599 . . . . 12.05 113.166 177.277 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.2 p -153.18 148.72 27.23 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 119.189 -1.004 . . . . 11.97 111.859 -179.95 74.1 -117.172 87.602 107.266 2.051 106.159 99.621 -69.033 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.6 mtp180 72.36 37.41 0.93 Allowed 'General case' 0 CA--C 1.508 -0.643 0 O-C-N 126.454 2.346 . . . . 34.96 115.578 174.091 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.96 143.4 21.82 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-N 113.124 -1.853 . . . . 10.08 108.827 177.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -105.69 -179.78 4.04 Favored 'General case' 1 C--O 1.309 4.186 0 N-CA-C 105.663 -1.977 . . . . 35.07 105.663 176.007 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.2 -36.76 72.03 Favored 'General case' 0 C--O 1.273 2.309 0 O-C-N 118.602 -2.561 . . . . 27.18 117.037 -176.86 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -76.65 68.77 2.96 Favored 'General case' 0 C--N 1.276 -2.591 0 CA-C-N 120.196 1.362 . . . . 6.01 107.834 179.056 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.579 HD22 ' C ' ' A' ' 44' ' ' ASN . 0.1 OUTLIER -154.81 108.5 2.89 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 126.177 1.791 . . . . 9.31 107.926 -177.397 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -116.99 153.63 32.32 Favored 'General case' 0 N--CA 1.443 -0.776 0 C-N-CA 126.298 1.839 . . . . 8.57 110.883 -179.353 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . 0.256 39.1 mttp -88.0 -20.5 25.75 Favored 'General case' 0 CA--C 1.505 -0.762 0 O-C-N 124.771 1.294 . . . . 39.51 109.88 178.487 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 53.4 p -142.92 159.94 41.29 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 106.243 -1.762 . . . . 10.87 106.243 176.786 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.452 ' O ' ' HG2' ' A' ' 52' ' ' MET . . . -64.03 -34.72 78.66 Favored 'General case' 0 C--N 1.302 -1.486 1 O-C-N 129.584 4.303 . . . . 14.7 111.43 177.367 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -64.09 -46.24 85.14 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 128.619 2.767 . . . . 40.58 113.455 179.528 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . 0.27 0.6 OUTLIER -59.89 -47.03 87.41 Favored 'General case' 0 C--N 1.293 -1.869 0 C-N-CA 126.633 1.973 . . . . 29.45 106.917 174.221 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 53.8 t -62.09 -48.9 78.14 Favored 'General case' 0 C--O 1.274 2.383 0 CA-C-O 123.776 1.75 . . . . 10.99 112.84 179.198 -179.302 -94.761 -89.359 100.15 2.048 103.947 -103.281 -74.613 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' MET . . . . . 0.452 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 61.1 mmm -65.06 -39.7 93.66 Favored 'General case' 0 C--O 1.256 1.419 0 O-C-N 120.696 -1.253 . . . . 36.21 112.459 177.929 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.0 ttp-105 -65.18 -46.49 80.56 Favored 'General case' 0 C--O 1.253 1.289 0 C-N-CA 118.447 -1.301 . . . . 23.67 108.806 178.762 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.7 m -69.44 -48.9 59.45 Favored 'General case' 0 C--O 1.246 0.894 0 N-CA-C 116.037 1.865 . . . . 15.94 116.037 -178.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 80.4 m -114.11 -10.18 12.84 Favored 'General case' 0 C--O 1.25 1.129 1 N-CA-C 122.661 4.319 . . . . 18.9 122.661 -178.577 -63.999 -65.322 -75.128 110.539 1.997 106.485 -71.763 -67.465 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.294 -1.762 0 CA-C-N 124.51 3.323 . . . . 36.32 115.128 -176.037 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' PO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 200' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 400' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 401' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 402' ' ' HOH . . . . . 0.58 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 403' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 404' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 405' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 406' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 407' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 408' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 409' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 410' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 411' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 412' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 413' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 414' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 415' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 416' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 417' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 418' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_