data_6qq7_residue ############################ # Computer software used # ############################ 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 6qq7 _Structure_validation_residue.Date_analyzed 2019-02-22 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' ' ' GLY . . . . . 0.65 ' N ' ' O ' ' A' ' 101' ' ' HOH . . . . . . . . 0 CA--C 1.519 0.313 0 N-CA-C 111.326 -0.71 . . . . 41.53 111.326 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.5 tt -63.76 -33.51 62.26 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 C-N-CA 119.847 -0.741 . . . . 30.56 111.637 -172.598 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 89.1 t -69.51 -41.49 80.52 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 C-N-CA 119.376 -0.93 . . . . 35.49 110.496 -178.051 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.1 mp0 -62.69 -39.3 93.56 Favored 'General case' 0 C--O 1.237 0.399 0 O-C-N 122.061 -0.399 . . . . 41.84 111.307 176.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -85.81 -23.19 27.29 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 114.005 1.113 . . . . 31.68 114.005 -174.849 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 30.8 m -122.31 -17.98 6.93 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 114.923 1.453 . . . . 17.92 114.923 -173.365 -78.718 -104.632 62.833 103.454 2.018 105.934 58.477 -158.129 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.7 t -105.23 -53.57 2.64 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 123.424 0.69 . . . . 24.96 112.268 175.747 173.98 56.892 99.65 106.174 1.993 103.839 -82.954 -61.047 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.9 -24.38 62.46 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 120.966 -0.294 . . . . 27.08 111.411 177.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.4 m -135.73 168.07 19.96 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 108.415 -0.957 . . . . 24.1 108.415 174.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 92.2 t -68.75 131.1 33.99 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 N-CA-C 109.478 -0.564 . . . . 23.28 109.478 -178.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.2 t -73.45 175.19 7.21 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 122.178 0.989 . . . . 17.81 111.035 -178.548 -158.129 58.477 62.833 105.934 2.018 103.454 -104.632 -78.718 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 52.4 p -151.64 158.83 43.99 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 108.609 -0.886 . . . . 19.2 108.609 174.665 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.5 tp -64.87 -37.5 87.82 Favored 'General case' 0 C--N 1.339 0.111 0 C-N-CA 119.595 -0.842 . . . . 19.92 111.254 179.056 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -54.27 -48.72 70.9 Favored 'General case' 0 C--O 1.242 0.663 0 CA-C-O 120.926 0.394 . . . . 46.23 111.361 174.366 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -48.91 77.93 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 111.918 0.34 . . . . 36.2 111.918 -177.698 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 tp -59.73 -44.44 93.77 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.097 -0.641 . . . . 22.0 111.377 -179.038 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -67.13 -19.95 65.69 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.218 -0.593 . . . . 21.83 112.011 -178.159 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -63.48 -19.51 64.8 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 112.023 0.379 . . . . 39.31 112.023 173.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -103.94 1.19 30.97 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 113.203 0.816 . . . . 40.13 113.203 -179.687 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 60.7 m -71.96 152.19 42.69 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 118.907 0.776 . . . . 30.27 109.958 168.376 -55.872 -45.709 -82.626 105.86 2.038 104.364 -60.737 -64.632 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 . . . . . 0 N--CA 1.465 0.308 0 CA-C-N 115.811 -0.631 . . . . 47.14 111.255 177.708 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 46.6 p90 . . . . . 0 CA--C 1.529 0.17 0 CA-C-O 120.942 0.401 . . . . 31.27 110.893 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 14.7 m -92.51 -8.55 10.19 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 N-CA-C 113.447 0.906 . . . . 28.24 113.447 -176.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -94.1 66.31 3.51 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 123.028 1.394 . . . . 23.75 109.526 -173.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -157.04 177.67 11.24 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.474 -1.239 . . . . 44.14 107.788 179.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -74.58 123.3 24.56 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 107.836 -1.172 . . . . 28.64 107.836 173.096 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 71.7 mt -123.78 112.95 17.93 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 107.276 -1.379 . . . . 25.66 107.276 -178.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 76.6 m -124.21 146.6 48.61 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 120.435 0.16 . . . . 25.29 110.778 -174.708 -61.047 -82.954 99.65 103.839 1.993 106.174 56.892 173.98 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.98 -132.61 50.9 Favored Glycine 0 C--N 1.338 0.652 0 O-C-N 124.158 0.911 . . . . 24.7 111.883 171.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 79.5 p -63.32 -25.79 68.47 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 118.897 -1.121 . . . . 23.21 111.588 -176.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' HIS . . . . . 0.411 ' N ' ' CD2' ' B' ' 10' ' ' HIS . 6.0 m170 -69.3 -31.48 69.99 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.029 0.442 . . . . 23.54 110.734 177.952 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 46.7 tp -71.56 -41.84 68.56 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.023 0.44 . . . . 19.3 110.725 -179.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 40.6 t -62.98 -38.96 83.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.479 0 CA-C-O 121.094 0.473 . . . . 25.54 110.772 178.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -61.71 -44.19 97.39 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 122.103 -0.373 . . . . 23.7 111.276 177.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.05 -43.58 98.68 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 120.841 -0.344 . . . . 15.56 111.075 178.168 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 39.2 mt -58.93 -43.12 91.12 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.783 -0.367 . . . . 19.09 111.224 175.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -59.41 -44.99 92.76 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-O 121.091 0.472 . . . . 20.07 111.173 178.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.0 mt -71.85 -40.92 68.68 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.764 -0.375 . . . . 22.09 111.414 -176.513 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 33.6 t -73.55 -43.96 54.27 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 C-N-CA 120.539 -0.465 . . . . 24.31 110.852 -176.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 87.5 m -82.04 -22.16 36.57 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 119.337 -0.945 . . . . 24.22 112.88 -170.455 -64.632 -60.737 -82.626 104.364 2.038 105.86 -45.709 -55.872 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.1 -138.02 49.22 Favored Glycine 0 C--N 1.332 0.354 0 C-N-CA 121.183 -0.532 . . . . 29.9 111.852 173.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -68.74 -10.45 56.58 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 113.096 0.776 . . . . 51.17 113.096 -175.493 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 61.6 mtm180 -83.73 -4.96 59.05 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 118.398 0.544 . . . . 40.46 110.963 175.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.68 -177.15 10.03 Favored Glycine 0 CA--C 1.521 0.412 0 CA-C-O 122.117 0.843 . . . . 24.6 111.071 -167.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -158.69 168.8 25.89 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.618 0.723 . . . . 24.49 109.977 -173.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -108.38 141.39 40.29 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.865 -0.734 . . . . 35.4 109.75 170.595 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -127.24 109.55 11.94 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 107.582 -1.266 . . . . 31.97 107.582 -174.456 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 9.0 p -126.97 89.98 50.66 Favored Pre-proline 0 C--O 1.237 0.443 0 N-CA-C 108.565 -0.902 . . . . 42.8 108.565 -175.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -74.27 -35.35 4.0 Favored 'Trans proline' 0 N--CA 1.475 0.429 0 N-CA-C 116.012 1.505 . . . . 56.24 116.012 -174.352 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -91.95 48.36 1.43 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 119.532 1.06 . . . . 88.87 111.538 176.082 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 115.481 -0.781 . . . . 92.9 109.337 173.573 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . 0.65 ' O ' ' N ' ' A' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . 0.65 ' N ' ' O ' ' A' ' 101' ' ' HOH . . . . . . . . 0 CA--C 1.519 0.313 0 N-CA-C 111.326 -0.71 . . . . 41.53 111.326 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.5 tt -63.76 -33.51 62.26 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 C-N-CA 119.847 -0.741 . . . . 30.56 111.637 -172.598 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 89.1 t -69.51 -41.49 80.52 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 C-N-CA 119.376 -0.93 . . . . 35.49 110.496 -178.051 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.1 mp0 -62.69 -39.3 93.56 Favored 'General case' 0 C--O 1.237 0.399 0 O-C-N 122.061 -0.399 . . . . 41.84 111.307 176.386 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -85.81 -23.19 27.29 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 114.005 1.113 . . . . 31.68 114.005 -174.849 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 30.8 m -122.31 -17.98 6.93 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 114.923 1.453 . . . . 17.92 114.923 -173.365 -78.718 -104.632 62.833 103.454 2.018 105.934 58.477 -158.129 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.7 t -105.23 -53.57 2.64 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 123.424 0.69 . . . . 24.96 112.268 175.747 173.98 56.892 99.65 106.174 1.993 103.839 -82.954 -61.047 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.9 -24.38 62.46 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 120.966 -0.294 . . . . 27.08 111.411 177.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.4 m -135.73 168.07 19.96 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 108.415 -0.957 . . . . 24.1 108.415 174.945 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 92.2 t -68.75 131.1 33.99 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 N-CA-C 109.478 -0.564 . . . . 23.28 109.478 -178.367 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.2 t -73.45 175.19 7.21 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 122.178 0.989 . . . . 17.81 111.035 -178.548 -158.129 58.477 62.833 105.934 2.018 103.454 -104.632 -78.718 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 52.4 p -151.64 158.83 43.99 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 108.609 -0.886 . . . . 19.2 108.609 174.665 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.5 tp -64.87 -37.5 87.82 Favored 'General case' 0 C--N 1.339 0.111 0 C-N-CA 119.595 -0.842 . . . . 19.92 111.254 179.056 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -54.27 -48.72 70.9 Favored 'General case' 0 C--O 1.242 0.663 0 CA-C-O 120.926 0.394 . . . . 46.23 111.361 174.366 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -48.91 77.93 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 111.918 0.34 . . . . 36.2 111.918 -177.698 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 tp -59.73 -44.44 93.77 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.097 -0.641 . . . . 22.08 111.377 -179.038 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -67.13 -19.95 65.69 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.218 -0.593 . . . . 21.83 112.011 -178.159 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -63.48 -19.51 64.8 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 112.023 0.379 . . . . 39.31 112.023 173.617 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -103.94 1.19 30.97 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 113.203 0.816 . . . . 40.13 113.203 -179.687 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 60.7 m -71.96 152.19 42.69 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 118.907 0.776 . . . . 30.27 109.958 168.376 -55.872 -45.709 -82.626 105.86 2.038 104.364 -60.737 -64.632 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . 0.566 ' HB2' ' O ' ' B' ' 22' ' ' ARG . 87.5 m-20 . . . . . 0 N--CA 1.465 0.308 0 CA-C-N 115.811 -0.631 . . . . 47.14 111.255 177.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 46.6 p90 . . . . . 0 CA--C 1.529 0.17 0 CA-C-O 120.942 0.401 . . . . 31.27 110.893 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 14.7 m -92.51 -8.55 10.19 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 N-CA-C 113.447 0.906 . . . . 28.24 113.447 -176.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -94.1 66.31 3.51 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 123.028 1.394 . . . . 23.75 109.526 -173.639 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -157.04 177.67 11.24 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.474 -1.239 . . . . 44.14 107.788 179.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -74.58 123.3 24.56 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 107.836 -1.172 . . . . 28.64 107.836 173.096 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 71.7 mt -123.78 112.95 17.93 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 107.276 -1.379 . . . . 25.66 107.276 -178.974 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 76.6 m -124.21 146.6 48.61 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 120.435 0.16 . . . . 25.29 110.778 -174.708 -61.047 -82.954 99.65 103.839 1.993 106.174 56.892 173.98 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.98 -132.61 50.9 Favored Glycine 0 C--N 1.338 0.652 0 O-C-N 124.158 0.911 . . . . 24.7 111.883 171.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 79.5 p -63.32 -25.79 68.47 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 118.897 -1.121 . . . . 23.21 111.588 -176.223 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' HIS . . . . . 0.411 ' N ' ' CD2' ' B' ' 10' ' ' HIS . 6.0 m170 -69.3 -31.48 69.99 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.029 0.442 . . . . 30.16 110.734 177.952 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 46.7 tp -71.56 -41.84 68.56 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.023 0.44 . . . . 19.3 110.725 -179.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 40.6 t -62.98 -38.96 83.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.479 0 CA-C-O 121.094 0.473 . . . . 25.54 110.772 178.505 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -61.71 -44.19 97.39 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 122.103 -0.373 . . . . 23.7 111.276 177.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.05 -43.58 98.68 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 120.841 -0.344 . . . . 15.56 111.075 178.168 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 39.2 mt -58.93 -43.12 91.12 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.783 -0.367 . . . . 19.09 111.224 175.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -59.41 -44.99 92.76 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-O 121.091 0.472 . . . . 20.07 111.173 178.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.0 mt -71.85 -40.92 68.68 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.764 -0.375 . . . . 22.09 111.414 -176.513 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 33.6 t -73.55 -43.96 54.27 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 C-N-CA 120.539 -0.465 . . . . 24.31 110.852 -176.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 87.5 m -82.04 -22.16 36.57 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 119.337 -0.945 . . . . 24.22 112.88 -170.455 -64.632 -60.737 -82.626 104.364 2.038 105.86 -45.709 -55.872 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.1 -138.02 49.22 Favored Glycine 0 C--N 1.332 0.354 0 C-N-CA 121.183 -0.532 . . . . 29.9 111.852 173.251 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' B' ' 113' ' ' HOH . 4.4 pt-20 -68.74 -10.45 56.58 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 113.096 0.776 . . . . 51.17 113.096 -175.493 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ARG . . . . . 0.566 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 61.6 mtm180 -83.73 -4.96 59.05 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 118.398 0.544 . . . . 52.49 110.963 175.251 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.68 -177.15 10.03 Favored Glycine 0 CA--C 1.521 0.412 0 CA-C-O 122.117 0.843 . . . . 24.6 111.071 -167.862 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -158.69 168.8 25.89 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.618 0.723 . . . . 24.49 109.977 -173.685 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -108.38 141.39 40.29 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.865 -0.734 . . . . 35.4 109.75 170.595 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -127.24 109.55 11.94 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 107.582 -1.266 . . . . 31.97 107.582 -174.456 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 9.0 p -126.97 89.98 50.66 Favored Pre-proline 0 C--O 1.237 0.443 0 N-CA-C 108.565 -0.902 . . . . 42.8 108.565 -175.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -74.27 -35.35 4.0 Favored 'Trans proline' 0 N--CA 1.475 0.429 0 N-CA-C 116.012 1.505 . . . . 56.24 116.012 -174.352 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -91.95 48.36 1.43 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 119.532 1.06 . . . . 88.87 111.538 176.082 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 115.481 -0.781 . . . . 92.9 109.337 173.573 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . 0.65 ' O ' ' N ' ' A' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 113' ' ' HOH . . . . . 0.428 ' O ' ' HG2' ' B' ' 21' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.65 ' N ' ' O ' ' A' ' 101' ' ' HOH . . . . . . . . 0 CA--C 1.519 0.313 0 N-CA-C 111.326 -0.71 . . . . 41.53 111.326 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.5 tt -63.76 -33.51 62.26 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 C-N-CA 119.847 -0.741 . . . . 30.56 111.637 -172.598 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 89.1 t -69.51 -41.49 80.52 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 C-N-CA 119.376 -0.93 . . . . 35.49 110.496 -178.051 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.1 mp0 -62.69 -39.3 93.56 Favored 'General case' 0 C--O 1.237 0.399 0 O-C-N 122.061 -0.399 . . . . 41.84 111.307 176.386 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -85.81 -23.19 27.29 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 114.005 1.113 . . . . 31.68 114.005 -174.849 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 30.8 m -122.31 -17.98 6.93 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 114.923 1.453 . . . . 17.92 114.923 -173.365 -78.718 -104.632 62.833 103.454 2.018 105.934 58.477 -158.129 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.7 t -105.23 -53.57 2.64 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 123.424 0.69 . . . . 24.96 112.268 175.747 173.98 56.892 99.65 106.174 1.993 103.839 -82.954 -61.047 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.9 -24.38 62.46 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 120.966 -0.294 . . . . 27.08 111.411 177.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.4 m -135.73 168.07 19.96 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 108.415 -0.957 . . . . 24.1 108.415 174.945 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 92.2 t -68.75 131.1 33.99 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 N-CA-C 109.478 -0.564 . . . . 23.28 109.478 -178.367 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.2 t -73.45 175.19 7.21 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 122.178 0.989 . . . . 17.81 111.035 -178.548 -158.129 58.477 62.833 105.934 2.018 103.454 -104.632 -78.718 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 52.4 p -151.64 158.83 43.99 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 108.609 -0.886 . . . . 19.2 108.609 174.665 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.5 tp -64.87 -37.5 87.82 Favored 'General case' 0 C--N 1.339 0.111 0 C-N-CA 119.595 -0.842 . . . . 19.92 111.254 179.056 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -54.27 -48.72 70.9 Favored 'General case' 0 C--O 1.242 0.663 0 CA-C-O 120.926 0.394 . . . . 46.23 111.361 174.366 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -48.91 77.93 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 111.918 0.34 . . . . 36.2 111.918 -177.698 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 tp -59.73 -44.44 93.77 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.097 -0.641 . . . . 22.08 111.377 -179.038 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -67.13 -19.95 65.69 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.218 -0.593 . . . . 21.83 112.011 -178.159 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -63.48 -19.51 64.8 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 112.023 0.379 . . . . 39.31 112.023 173.617 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -103.94 1.19 30.97 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 113.203 0.816 . . . . 40.13 113.203 -179.687 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 60.7 m -71.96 152.19 42.69 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 118.907 0.776 . . . . 30.27 109.958 168.376 -55.872 -45.709 -82.626 105.86 2.038 104.364 -60.737 -64.632 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.566 ' HB2' ' O ' ' B' ' 22' ' ' ARG . 87.5 m-20 . . . . . 0 N--CA 1.465 0.308 0 CA-C-N 115.811 -0.631 . . . . 47.14 111.255 177.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 46.6 p90 . . . . . 0 CA--C 1.529 0.17 0 CA-C-O 120.942 0.401 . . . . 31.27 110.893 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 14.7 m -92.51 -8.55 10.19 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 N-CA-C 113.447 0.906 . . . . 28.24 113.447 -176.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -94.1 66.31 3.51 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 123.028 1.394 . . . . 23.75 109.526 -173.639 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -157.04 177.67 11.24 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.474 -1.239 . . . . 44.14 107.788 179.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -74.58 123.3 24.56 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 107.836 -1.172 . . . . 28.64 107.836 173.096 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 71.7 mt -123.78 112.95 17.93 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 107.276 -1.379 . . . . 25.66 107.276 -178.974 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 76.6 m -124.21 146.6 48.61 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 120.435 0.16 . . . . 25.29 110.778 -174.708 -61.047 -82.954 99.65 103.839 1.993 106.174 56.892 173.98 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.98 -132.61 50.9 Favored Glycine 0 C--N 1.338 0.652 0 O-C-N 124.158 0.911 . . . . 24.7 111.883 171.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 79.5 p -63.32 -25.79 68.47 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 118.897 -1.121 . . . . 23.21 111.588 -176.223 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' HIS . . . . . 0.411 ' N ' ' CD2' ' B' ' 10' ' ' HIS . 6.0 m170 -69.3 -31.48 69.99 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.029 0.442 . . . . 30.16 110.734 177.952 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 46.7 tp -71.56 -41.84 68.56 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.023 0.44 . . . . 19.3 110.725 -179.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 40.6 t -62.98 -38.96 83.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.479 0 CA-C-O 121.094 0.473 . . . . 25.54 110.772 178.505 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -61.71 -44.19 97.39 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 122.103 -0.373 . . . . 23.7 111.276 177.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.05 -43.58 98.68 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 120.841 -0.344 . . . . 15.56 111.075 178.168 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 39.2 mt -58.93 -43.12 91.12 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.783 -0.367 . . . . 19.09 111.224 175.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -59.41 -44.99 92.76 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-O 121.091 0.472 . . . . 20.07 111.173 178.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.0 mt -71.85 -40.92 68.68 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.764 -0.375 . . . . 22.09 111.414 -176.513 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 33.6 t -73.55 -43.96 54.27 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 C-N-CA 120.539 -0.465 . . . . 24.31 110.852 -176.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 87.5 m -82.04 -22.16 36.57 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 119.337 -0.945 . . . . 24.22 112.88 -170.455 -64.632 -60.737 -82.626 104.364 2.038 105.86 -45.709 -55.872 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.1 -138.02 49.22 Favored Glycine 0 C--N 1.332 0.354 0 C-N-CA 121.183 -0.532 . . . . 29.9 111.852 173.251 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' B' ' 113' ' ' HOH . 4.4 pt-20 -68.74 -10.45 56.58 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 113.096 0.776 . . . . 51.17 113.096 -175.493 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.566 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 61.6 mtm180 -83.73 -4.96 59.05 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 118.398 0.544 . . . . 52.49 110.963 175.251 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.68 -177.15 10.03 Favored Glycine 0 CA--C 1.521 0.412 0 CA-C-O 122.117 0.843 . . . . 24.6 111.071 -167.862 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -158.69 168.8 25.89 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.618 0.723 . . . . 24.49 109.977 -173.685 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -108.38 141.39 40.29 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.865 -0.734 . . . . 35.4 109.75 170.595 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -127.24 109.55 11.94 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 107.582 -1.266 . . . . 31.97 107.582 -174.456 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 9.0 p -126.97 89.98 50.66 Favored Pre-proline 0 C--O 1.237 0.443 0 N-CA-C 108.565 -0.902 . . . . 42.8 108.565 -175.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -74.27 -35.35 4.0 Favored 'Trans proline' 0 N--CA 1.475 0.429 0 N-CA-C 116.012 1.505 . . . . 56.24 116.012 -174.352 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -91.95 48.36 1.43 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 119.532 1.06 . . . . 88.87 111.538 176.082 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 115.481 -0.781 . . . . 92.9 109.337 173.573 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . 0.65 ' O ' ' N ' ' A' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' HOH . . . . . 0.428 ' O ' ' HG2' ' B' ' 21' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_