data_1fxd_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 1fxd _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' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 CA--C 1.532 0.379 0 CA-C-O 124.545 1.81 . . . . 28.75 111.544 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.0 mt -80.49 136.04 24.11 Favored 'Isoleucine or valine' 0 C--O 1.246 0.881 0 CA-C-N 109.854 -3.339 . . . . 17.48 108.742 -178.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.251 19.1 mt-10 -132.67 154.17 50.39 Favored 'General case' 0 C--N 1.309 -1.156 0 C-N-CA 128.193 2.597 . . . . 45.74 114.146 175.916 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 86.5 t -114.27 123.29 69.8 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.981 0 N-CA-C 102.594 -3.113 . . . . 14.71 102.594 176.059 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.5 p30 -91.31 178.9 5.84 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 108.431 -0.952 . . . . 21.32 108.431 -177.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -72.06 -4.65 30.03 Favored 'General case' 0 C--O 1.27 2.157 0 CA-C-O 114.379 -2.724 . . . . 24.77 115.135 -176.25 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -77.61 -9.75 59.13 Favored 'General case' 0 C--N 1.317 -0.841 0 O-C-N 127.146 2.779 . . . . 23.14 108.116 176.815 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.7 t -50.47 126.9 16.35 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 120.698 -1.252 . . . . 11.37 111.078 -179.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 27.3 mtm -103.32 8.32 38.23 Favored 'General case' 0 C--N 1.3 -1.57 0 C-N-CA 125.438 1.495 . . . . 22.64 112.508 -179.62 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 58.44 45.91 15.94 Favored 'General case' 0 C--N 1.288 -2.09 0 C-N-CA 128.834 2.854 . . . . 15.37 110.152 -178.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' SCH . . . . . 1.293 ' SG ' ' SD ' ' A' ' 11' ' ' SCH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . 0.257 3.6 mt-10 63.4 20.51 12.3 Favored 'General case' 0 N--CA 1.424 -1.728 1 C-N-CA 132.501 4.32 . . . . 39.68 114.275 -178.833 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.95 -43.23 99.36 Favored 'General case' 0 C--O 1.261 1.69 0 O-C-N 126.097 2.123 . . . . 15.22 106.555 175.864 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.6 p -56.58 -36.63 69.57 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 118.672 -0.68 . . . . 14.48 111.482 -178.021 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.1 t -67.86 -36.76 76.88 Favored 'Isoleucine or valine' 0 C--O 1.269 2.084 0 CA-C-O 124.23 1.967 . . . . 21.59 113.316 179.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -71.34 -41.45 69.79 Favored 'General case' 0 C--N 1.315 -0.918 1 O-C-N 115.767 -4.333 . . . . 25.93 113.437 178.905 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.3 mt -79.15 -39.94 21.72 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.79 0 C-N-CA 129.029 2.932 . . . . 15.93 115.069 -179.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.1 t -143.19 71.08 18.27 Favored Pre-proline 0 C--N 1.313 -1.009 0 O-C-N 119.406 -2.059 . . . . 12.9 112.27 -177.506 -153.503 54.956 56.584 107.854 1.977 107.835 80.625 54.201 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -63.1 -19.87 69.89 Favored 'Trans proline' 0 C--O 1.261 1.627 0 C-N-CA 124.442 3.428 . . . . 14.79 116.143 -176.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -79.15 -16.65 56.33 Favored 'General case' 0 C--N 1.284 -2.274 0 C-N-CA 125.41 1.484 . . . . 24.15 110.666 178.727 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 72.2 t -116.04 -27.78 2.44 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.161 0 CA-C-O 115.927 -1.987 . . . . 10.81 111.49 -178.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -127.21 136.85 52.61 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 121.338 1.881 . . . . 11.62 112.78 -176.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 32' ' ' VAL . 18.6 pt-20 -136.96 159.01 43.16 Favored 'General case' 0 N--CA 1.483 1.191 1 O-C-N 129.578 4.299 . . . . 30.33 106.057 177.705 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 32.3 mmm -88.0 148.41 24.55 Favored 'General case' 0 C--O 1.266 1.965 0 O-C-N 126.983 2.677 . . . . 18.45 106.759 177.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 51.5 p-10 -70.29 172.62 7.92 Favored 'General case' 0 C--O 1.262 1.721 0 N-CA-C 107.053 -1.462 . . . . 18.18 107.053 175.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -62.24 -40.93 97.8 Favored 'General case' 0 C--O 1.263 1.771 0 CA-C-N 112.863 -1.972 . . . . 49.46 112.732 -178.262 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.08 -35.02 75.87 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 107.98 -1.119 . . . . 32.3 107.98 178.488 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.83 31.37 26.74 Favored Glycine 0 C--N 1.345 1.034 0 CA-C-O 117.158 -1.912 . . . . 19.53 111.175 -179.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 48.4 p-10 -126.64 5.17 6.77 Favored 'General case' 0 C--O 1.261 1.678 0 CA-C-N 120.981 2.391 . . . . 22.61 109.814 -177.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.6 tttt -154.66 142.47 20.0 Favored 'General case' 0 C--O 1.244 0.788 0 O-C-N 128.011 3.32 . . . . 24.37 108.763 177.755 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.57 153.12 26.9 Favored 'General case' 0 C--O 1.256 1.404 0 O-C-N 126.546 2.404 . . . . 12.71 108.106 177.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' A' ' 23' ' ' GLU . 71.3 t -120.05 142.17 36.93 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 O-C-N 126.299 2.25 . . . . 18.59 109.062 178.797 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 97.4 t -93.97 110.38 23.42 Favored 'Isoleucine or valine' 0 C--O 1.257 1.485 0 O-C-N 124.541 1.151 . . . . 10.93 110.821 178.011 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 86.3 mt -72.67 -29.3 29.86 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.955 0 CA-C-O 116.191 -1.861 . . . . 20.08 112.196 178.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -144.19 97.47 5.22 Favored Pre-proline 0 N--CA 1.486 1.362 0 N-CA-C 106.645 -1.613 . . . . 24.06 106.645 -179.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_endo -74.1 -13.03 23.65 Favored 'Trans proline' 0 C--N 1.299 -2.055 0 CA-C-O 114.74 -2.275 . . . . 15.83 115.015 -174.239 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -104.1 15.78 27.7 Favored 'General case' 0 C--O 1.266 1.942 0 O-C-N 128.994 3.934 . . . . 39.9 114.342 175.451 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.4 t -59.51 141.94 53.67 Favored 'General case' 0 C--O 1.266 1.946 0 O-C-N 119.23 -2.169 . . . . 14.29 112.127 -177.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -107.25 2.79 24.9 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 125.956 2.035 . . . . 37.58 111.341 175.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.5 mt -56.59 143.37 36.0 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 122.843 1.306 . . . . 14.73 108.102 -176.932 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -68.53 -24.2 64.62 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 113.541 -1.663 . . . . 21.26 108.938 179.008 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 17.9 p -66.94 -16.11 64.12 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 116.271 -2.172 . . . . 14.22 110.91 -179.737 54.201 80.625 56.584 107.835 1.977 107.854 54.956 -153.503 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.7 t -62.61 -47.8 91.21 Favored 'Isoleucine or valine' 0 C--O 1.271 2.22 0 O-C-N 126.279 2.237 . . . . 11.6 106.401 -179.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.343 2.7 mt-10 -62.43 -36.45 82.43 Favored 'General case' 0 N--CA 1.503 2.193 0 CA-C-O 124.219 1.962 . . . . 20.67 111.775 -177.578 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -64.25 -42.45 96.5 Favored 'General case' 0 C--O 1.281 2.719 0 CA-C-O 124.252 1.977 . . . . 38.36 114.192 177.248 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.45 -41.77 97.73 Favored 'General case' 0 N--CA 1.504 2.252 0 CA-C-N 114.362 -1.29 . . . . 11.95 112.008 177.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.2 mt -61.16 -45.98 97.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 CA-C-O 122.981 1.372 . . . . 11.69 109.848 -179.881 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . 0.288 82.6 m-20 -68.11 -28.99 67.81 Favored 'General case' 0 C--N 1.376 1.723 0 CA-C-N 114.101 -1.409 . . . . 21.64 112.34 -178.043 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 50.8 m -90.76 -5.41 55.72 Favored 'General case' 0 C--O 1.274 2.346 0 N-CA-C 116.348 1.981 . . . . 18.59 116.348 179.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 42.2 t -82.99 120.91 76.95 Favored Pre-proline 0 C--O 1.245 0.816 0 C-N-CA 116.782 -1.967 . . . . 14.03 110.443 179.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -67.92 -26.83 37.44 Favored 'Trans proline' 0 CA--C 1.491 -1.648 0 O-C-N 125.854 2.502 . . . . 15.11 114.303 -176.513 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -86.61 -12.31 48.94 Favored 'General case' 0 C--O 1.248 0.993 0 CA-C-N 113.215 -1.811 . . . . 13.53 113.626 -177.235 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 54.5 41.34 32.02 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 127.585 3.053 . . . . 39.4 108.982 -177.349 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.8 -17.73 43.05 Favored 'General case' 0 C--O 1.254 1.294 0 CA-C-N 110.748 -2.933 . . . . 12.82 111.573 -176.553 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 42.0 mt -93.93 124.55 46.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 125.638 1.836 . . . . 13.2 111.442 -176.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.4 m -137.11 170.7 17.55 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.5 0 CA-C-N 120.375 1.443 . . . . 23.13 110.485 -177.374 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -115.79 109.29 17.46 Favored 'General case' 0 C--O 1.253 1.264 0 CA-C-O 112.942 -3.409 . . . . 50.66 106.156 178.343 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.262 1.729 1 O-C-N 130.057 4.598 . . . . 39.87 116.319 -179.211 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' F3S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 CA--C 1.532 0.379 0 CA-C-O 124.545 1.81 . . . . 28.75 111.544 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.0 mt -80.49 136.04 24.11 Favored 'Isoleucine or valine' 0 C--O 1.246 0.881 0 CA-C-N 109.854 -3.339 . . . . 17.48 108.742 -178.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.251 19.1 mt-10 -132.67 154.17 50.39 Favored 'General case' 0 C--N 1.309 -1.156 0 C-N-CA 128.193 2.597 . . . . 45.74 114.146 175.916 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 86.5 t -114.27 123.29 69.8 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.981 0 N-CA-C 102.594 -3.113 . . . . 14.71 102.594 176.059 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ASN . . . . . 0.436 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 13.5 p30 -91.31 178.9 5.84 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 108.431 -0.952 . . . . 21.32 108.431 -177.334 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -72.06 -4.65 30.03 Favored 'General case' 0 C--O 1.27 2.157 0 CA-C-O 114.379 -2.724 . . . . 24.77 115.135 -176.25 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -77.61 -9.75 59.13 Favored 'General case' 0 C--N 1.317 -0.841 0 O-C-N 127.146 2.779 . . . . 23.14 108.116 176.815 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.7 t -50.47 126.9 16.35 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 120.698 -1.252 . . . . 11.37 111.078 -179.847 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 27.3 mtm -103.32 8.32 38.23 Favored 'General case' 0 C--N 1.3 -1.57 0 C-N-CA 125.438 1.495 . . . . 22.64 112.508 -179.62 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 58.44 45.91 15.94 Favored 'General case' 0 C--N 1.288 -2.09 0 C-N-CA 128.834 2.854 . . . . 15.37 110.152 -178.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' SCH . . . . . 1.293 ' SG ' ' SD ' ' A' ' 11' ' ' SCH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . 0.257 3.6 mt-10 63.4 20.51 12.3 Favored 'General case' 0 N--CA 1.424 -1.728 1 C-N-CA 132.501 4.32 . . . . 39.68 114.275 -178.833 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.95 -43.23 99.36 Favored 'General case' 0 C--O 1.261 1.69 0 O-C-N 126.097 2.123 . . . . 15.22 106.555 175.864 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.6 p -56.58 -36.63 69.57 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 118.672 -0.68 . . . . 14.48 111.482 -178.021 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.1 t -67.86 -36.76 76.88 Favored 'Isoleucine or valine' 0 C--O 1.269 2.084 0 CA-C-O 124.23 1.967 . . . . 21.59 113.316 179.875 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -71.34 -41.45 69.79 Favored 'General case' 0 C--N 1.315 -0.918 1 O-C-N 115.767 -4.333 . . . . 25.93 113.437 178.905 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.3 mt -79.15 -39.94 21.72 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.79 0 C-N-CA 129.029 2.932 . . . . 15.93 115.069 -179.911 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.1 t -143.19 71.08 18.27 Favored Pre-proline 0 C--N 1.313 -1.009 0 O-C-N 119.406 -2.059 . . . . 12.9 112.27 -177.506 -153.503 54.956 56.584 107.854 1.977 107.835 80.625 54.201 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -63.1 -19.87 69.89 Favored 'Trans proline' 0 C--O 1.261 1.627 0 C-N-CA 124.442 3.428 . . . . 14.79 116.143 -176.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -79.15 -16.65 56.33 Favored 'General case' 0 C--N 1.284 -2.274 0 C-N-CA 125.41 1.484 . . . . 24.15 110.666 178.727 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 72.2 t -116.04 -27.78 2.44 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.161 0 CA-C-O 115.927 -1.987 . . . . 10.81 111.49 -178.639 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -127.21 136.85 52.61 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 121.338 1.881 . . . . 11.62 112.78 -176.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -136.96 159.01 43.16 Favored 'General case' 0 N--CA 1.483 1.191 1 O-C-N 129.578 4.299 . . . . 30.33 106.057 177.705 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 32.3 mmm -88.0 148.41 24.55 Favored 'General case' 0 C--O 1.266 1.965 0 O-C-N 126.983 2.677 . . . . 18.45 106.759 177.795 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 51.5 p-10 -70.29 172.62 7.92 Favored 'General case' 0 C--O 1.262 1.721 0 N-CA-C 107.053 -1.462 . . . . 18.18 107.053 175.643 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -62.24 -40.93 97.8 Favored 'General case' 0 C--O 1.263 1.771 0 CA-C-N 112.863 -1.972 . . . . 49.46 112.732 -178.262 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.08 -35.02 75.87 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 107.98 -1.119 . . . . 32.3 107.98 178.488 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.83 31.37 26.74 Favored Glycine 0 C--N 1.345 1.034 0 CA-C-O 117.158 -1.912 . . . . 19.53 111.175 -179.166 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 48.4 p-10 -126.64 5.17 6.77 Favored 'General case' 0 C--O 1.261 1.678 0 CA-C-N 120.981 2.391 . . . . 22.61 109.814 -177.887 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LYS . . . . . 0.436 ' HE3' ' O ' ' A' ' 5' ' ' ASN . 64.6 tttt -154.66 142.47 20.0 Favored 'General case' 0 C--O 1.244 0.788 0 O-C-N 128.011 3.32 . . . . 24.37 108.763 177.755 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.57 153.12 26.9 Favored 'General case' 0 C--O 1.256 1.404 0 O-C-N 126.546 2.404 . . . . 12.71 108.106 177.768 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 71.3 t -120.05 142.17 36.93 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 O-C-N 126.299 2.25 . . . . 18.59 109.062 178.797 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 97.4 t -93.97 110.38 23.42 Favored 'Isoleucine or valine' 0 C--O 1.257 1.485 0 O-C-N 124.541 1.151 . . . . 10.93 110.821 178.011 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 86.3 mt -72.67 -29.3 29.86 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.955 0 CA-C-O 116.191 -1.861 . . . . 20.08 112.196 178.786 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -144.19 97.47 5.22 Favored Pre-proline 0 N--CA 1.486 1.362 0 N-CA-C 106.645 -1.613 . . . . 24.06 106.645 -179.148 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_endo -74.1 -13.03 23.65 Favored 'Trans proline' 0 C--N 1.299 -2.055 0 CA-C-O 114.74 -2.275 . . . . 15.83 115.015 -174.239 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -104.1 15.78 27.7 Favored 'General case' 0 C--O 1.266 1.942 0 O-C-N 128.994 3.934 . . . . 39.9 114.342 175.451 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.4 t -59.51 141.94 53.67 Favored 'General case' 0 C--O 1.266 1.946 0 O-C-N 119.23 -2.169 . . . . 14.29 112.127 -177.483 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -107.25 2.79 24.9 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 125.956 2.035 . . . . 37.58 111.341 175.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.5 mt -56.59 143.37 36.0 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 122.843 1.306 . . . . 14.73 108.102 -176.932 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -68.53 -24.2 64.62 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 113.541 -1.663 . . . . 21.26 108.938 179.008 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 17.9 p -66.94 -16.11 64.12 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 116.271 -2.172 . . . . 14.22 110.91 -179.737 54.201 80.625 56.584 107.835 1.977 107.854 54.956 -153.503 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.7 t -62.61 -47.8 91.21 Favored 'Isoleucine or valine' 0 C--O 1.271 2.22 0 O-C-N 126.279 2.237 . . . . 11.6 106.401 -179.663 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.343 2.7 mt-10 -62.43 -36.45 82.43 Favored 'General case' 0 N--CA 1.503 2.193 0 CA-C-O 124.219 1.962 . . . . 20.67 111.775 -177.578 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -64.25 -42.45 96.5 Favored 'General case' 0 C--O 1.281 2.719 0 CA-C-O 124.252 1.977 . . . . 38.36 114.192 177.248 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.45 -41.77 97.73 Favored 'General case' 0 N--CA 1.504 2.252 0 CA-C-N 114.362 -1.29 . . . . 11.95 112.008 177.511 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.2 mt -61.16 -45.98 97.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 CA-C-O 122.981 1.372 . . . . 11.69 109.848 -179.881 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . 0.288 82.6 m-20 -68.11 -28.99 67.81 Favored 'General case' 0 C--N 1.376 1.723 0 CA-C-N 114.101 -1.409 . . . . 21.64 112.34 -178.043 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 50.8 m -90.76 -5.41 55.72 Favored 'General case' 0 C--O 1.274 2.346 0 N-CA-C 116.348 1.981 . . . . 18.59 116.348 179.353 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 42.2 t -82.99 120.91 76.95 Favored Pre-proline 0 C--O 1.245 0.816 0 C-N-CA 116.782 -1.967 . . . . 14.03 110.443 179.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' PRO . . . . . 0.436 ' HG2' ' CE ' ' A' ' 11' ' ' SCH . 21.4 Cg_exo -67.92 -26.83 37.44 Favored 'Trans proline' 0 CA--C 1.491 -1.648 0 O-C-N 125.854 2.502 . . . . 15.11 114.303 -176.513 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -86.61 -12.31 48.94 Favored 'General case' 0 C--O 1.248 0.993 0 CA-C-N 113.215 -1.811 . . . . 13.53 113.626 -177.235 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 54.5 41.34 32.02 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 127.585 3.053 . . . . 39.4 108.982 -177.349 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.8 -17.73 43.05 Favored 'General case' 0 C--O 1.254 1.294 0 CA-C-N 110.748 -2.933 . . . . 12.82 111.573 -176.553 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 42.0 mt -93.93 124.55 46.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 125.638 1.836 . . . . 13.2 111.442 -176.258 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.4 m -137.11 170.7 17.55 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.5 0 CA-C-N 120.375 1.443 . . . . 23.13 110.485 -177.374 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -115.79 109.29 17.46 Favored 'General case' 0 C--O 1.253 1.264 0 CA-C-O 112.942 -3.409 . . . . 50.66 106.156 178.343 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.262 1.729 1 O-C-N 130.057 4.598 . . . . 39.87 116.319 -179.211 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' F3S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 CA--C 1.532 0.379 0 CA-C-O 124.545 1.81 . . . . 28.75 111.544 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.0 mt -80.49 136.04 24.11 Favored 'Isoleucine or valine' 0 C--O 1.246 0.881 0 CA-C-N 109.854 -3.339 . . . . 17.48 108.742 -178.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.251 19.1 mt-10 -132.67 154.17 50.39 Favored 'General case' 0 C--N 1.309 -1.156 0 C-N-CA 128.193 2.597 . . . . 45.74 114.146 175.916 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 86.5 t -114.27 123.29 69.8 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.981 0 N-CA-C 102.594 -3.113 . . . . 14.71 102.594 176.059 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.436 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 13.5 p30 -91.31 178.9 5.84 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 108.431 -0.952 . . . . 21.32 108.431 -177.334 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -72.06 -4.65 30.03 Favored 'General case' 0 C--O 1.27 2.157 0 CA-C-O 114.379 -2.724 . . . . 24.77 115.135 -176.25 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -77.61 -9.75 59.13 Favored 'General case' 0 C--N 1.317 -0.841 0 O-C-N 127.146 2.779 . . . . 23.14 108.116 176.815 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.7 t -50.47 126.9 16.35 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 120.698 -1.252 . . . . 11.37 111.078 -179.847 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 27.3 mtm -103.32 8.32 38.23 Favored 'General case' 0 C--N 1.3 -1.57 0 C-N-CA 125.438 1.495 . . . . 22.64 112.508 -179.62 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 58.44 45.91 15.94 Favored 'General case' 0 C--N 1.288 -2.09 0 C-N-CA 128.834 2.854 . . . . 15.37 110.152 -178.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' SCH . . . . . 1.293 ' SG ' ' SD ' ' A' ' 11' ' ' SCH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . 0.257 3.6 mt-10 63.4 20.51 12.3 Favored 'General case' 0 N--CA 1.424 -1.728 1 C-N-CA 132.501 4.32 . . . . 39.68 114.275 -178.833 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.95 -43.23 99.36 Favored 'General case' 0 C--O 1.261 1.69 0 O-C-N 126.097 2.123 . . . . 15.22 106.555 175.864 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.6 p -56.58 -36.63 69.57 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 118.672 -0.68 . . . . 14.48 111.482 -178.021 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.1 t -67.86 -36.76 76.88 Favored 'Isoleucine or valine' 0 C--O 1.269 2.084 0 CA-C-O 124.23 1.967 . . . . 21.59 113.316 179.875 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -71.34 -41.45 69.79 Favored 'General case' 0 C--N 1.315 -0.918 1 O-C-N 115.767 -4.333 . . . . 25.93 113.437 178.905 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.3 mt -79.15 -39.94 21.72 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.79 0 C-N-CA 129.029 2.932 . . . . 15.93 115.069 -179.911 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.1 t -143.19 71.08 18.27 Favored Pre-proline 0 C--N 1.313 -1.009 0 O-C-N 119.406 -2.059 . . . . 12.9 112.27 -177.506 -153.503 54.956 56.584 107.854 1.977 107.835 80.625 54.201 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -63.1 -19.87 69.89 Favored 'Trans proline' 0 C--O 1.261 1.627 0 C-N-CA 124.442 3.428 . . . . 14.79 116.143 -176.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -79.15 -16.65 56.33 Favored 'General case' 0 C--N 1.284 -2.274 0 C-N-CA 125.41 1.484 . . . . 24.15 110.666 178.727 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 72.2 t -116.04 -27.78 2.44 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.161 0 CA-C-O 115.927 -1.987 . . . . 10.81 111.49 -178.639 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -127.21 136.85 52.61 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 121.338 1.881 . . . . 11.62 112.78 -176.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -136.96 159.01 43.16 Favored 'General case' 0 N--CA 1.483 1.191 1 O-C-N 129.578 4.299 . . . . 30.33 106.057 177.705 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 32.3 mmm -88.0 148.41 24.55 Favored 'General case' 0 C--O 1.266 1.965 0 O-C-N 126.983 2.677 . . . . 18.45 106.759 177.795 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 51.5 p-10 -70.29 172.62 7.92 Favored 'General case' 0 C--O 1.262 1.721 0 N-CA-C 107.053 -1.462 . . . . 18.18 107.053 175.643 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -62.24 -40.93 97.8 Favored 'General case' 0 C--O 1.263 1.771 0 CA-C-N 112.863 -1.972 . . . . 49.46 112.732 -178.262 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.08 -35.02 75.87 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 107.98 -1.119 . . . . 32.3 107.98 178.488 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.83 31.37 26.74 Favored Glycine 0 C--N 1.345 1.034 0 CA-C-O 117.158 -1.912 . . . . 19.53 111.175 -179.166 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 48.4 p-10 -126.64 5.17 6.77 Favored 'General case' 0 C--O 1.261 1.678 0 CA-C-N 120.981 2.391 . . . . 22.61 109.814 -177.887 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.436 ' HE3' ' O ' ' A' ' 5' ' ' ASN . 64.6 tttt -154.66 142.47 20.0 Favored 'General case' 0 C--O 1.244 0.788 0 O-C-N 128.011 3.32 . . . . 24.37 108.763 177.755 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.57 153.12 26.9 Favored 'General case' 0 C--O 1.256 1.404 0 O-C-N 126.546 2.404 . . . . 12.71 108.106 177.768 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 71.3 t -120.05 142.17 36.93 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 O-C-N 126.299 2.25 . . . . 18.59 109.062 178.797 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 97.4 t -93.97 110.38 23.42 Favored 'Isoleucine or valine' 0 C--O 1.257 1.485 0 O-C-N 124.541 1.151 . . . . 10.93 110.821 178.011 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 86.3 mt -72.67 -29.3 29.86 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.955 0 CA-C-O 116.191 -1.861 . . . . 20.08 112.196 178.786 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -144.19 97.47 5.22 Favored Pre-proline 0 N--CA 1.486 1.362 0 N-CA-C 106.645 -1.613 . . . . 24.06 106.645 -179.148 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_endo -74.1 -13.03 23.65 Favored 'Trans proline' 0 C--N 1.299 -2.055 0 CA-C-O 114.74 -2.275 . . . . 15.83 115.015 -174.239 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -104.1 15.78 27.7 Favored 'General case' 0 C--O 1.266 1.942 0 O-C-N 128.994 3.934 . . . . 39.9 114.342 175.451 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.4 t -59.51 141.94 53.67 Favored 'General case' 0 C--O 1.266 1.946 0 O-C-N 119.23 -2.169 . . . . 14.29 112.127 -177.483 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -107.25 2.79 24.9 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 125.956 2.035 . . . . 37.58 111.341 175.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.5 mt -56.59 143.37 36.0 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 122.843 1.306 . . . . 14.73 108.102 -176.932 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -68.53 -24.2 64.62 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 113.541 -1.663 . . . . 21.26 108.938 179.008 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 17.9 p -66.94 -16.11 64.12 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 116.271 -2.172 . . . . 14.22 110.91 -179.737 54.201 80.625 56.584 107.835 1.977 107.854 54.956 -153.503 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.7 t -62.61 -47.8 91.21 Favored 'Isoleucine or valine' 0 C--O 1.271 2.22 0 O-C-N 126.279 2.237 . . . . 11.6 106.401 -179.663 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.343 2.7 mt-10 -62.43 -36.45 82.43 Favored 'General case' 0 N--CA 1.503 2.193 0 CA-C-O 124.219 1.962 . . . . 20.67 111.775 -177.578 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -64.25 -42.45 96.5 Favored 'General case' 0 C--O 1.281 2.719 0 CA-C-O 124.252 1.977 . . . . 38.36 114.192 177.248 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.45 -41.77 97.73 Favored 'General case' 0 N--CA 1.504 2.252 0 CA-C-N 114.362 -1.29 . . . . 11.95 112.008 177.511 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.2 mt -61.16 -45.98 97.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 CA-C-O 122.981 1.372 . . . . 11.69 109.848 -179.881 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . 0.288 82.6 m-20 -68.11 -28.99 67.81 Favored 'General case' 0 C--N 1.376 1.723 0 CA-C-N 114.101 -1.409 . . . . 21.64 112.34 -178.043 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 50.8 m -90.76 -5.41 55.72 Favored 'General case' 0 C--O 1.274 2.346 0 N-CA-C 116.348 1.981 . . . . 18.59 116.348 179.353 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 42.2 t -82.99 120.91 76.95 Favored Pre-proline 0 C--O 1.245 0.816 0 C-N-CA 116.782 -1.967 . . . . 14.03 110.443 179.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.436 ' HG2' ' CE ' ' A' ' 11' ' ' SCH . 21.4 Cg_exo -67.92 -26.83 37.44 Favored 'Trans proline' 0 CA--C 1.491 -1.648 0 O-C-N 125.854 2.502 . . . . 15.11 114.303 -176.513 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -86.61 -12.31 48.94 Favored 'General case' 0 C--O 1.248 0.993 0 CA-C-N 113.215 -1.811 . . . . 13.53 113.626 -177.235 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 54.5 41.34 32.02 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 127.585 3.053 . . . . 39.4 108.982 -177.349 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.8 -17.73 43.05 Favored 'General case' 0 C--O 1.254 1.294 0 CA-C-N 110.748 -2.933 . . . . 12.82 111.573 -176.553 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 42.0 mt -93.93 124.55 46.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 125.638 1.836 . . . . 13.2 111.442 -176.258 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.4 m -137.11 170.7 17.55 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.5 0 CA-C-N 120.375 1.443 . . . . 23.13 110.485 -177.374 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -115.79 109.29 17.46 Favored 'General case' 0 C--O 1.253 1.264 0 CA-C-O 112.942 -3.409 . . . . 50.66 106.156 178.343 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.262 1.729 1 O-C-N 130.057 4.598 . . . . 39.87 116.319 -179.211 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' F3S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_