data_1q9b_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 1q9b _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' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 . . . . . 0 N--CA 1.477 0.878 0 N-CA-C 107.743 -1.206 . . . . 22.75 107.743 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -97.7 -24.31 15.55 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 117.289 2.329 . . . . 16.010000000000002 117.289 -174.22 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.8 p -158.84 170.94 21.01 Favored 'General case' 0 N--CA 1.438 -1.044 0 O-C-N 121.082 -1.011 . . . . 12.58 112.186 -172.275 59.529 92.658 93.728 102.259 2.035 100.722 73.08 -177.096 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.43 -160.35 52.09 Favored Glycine 0 N--CA 1.44 -1.096 0 O-C-N 126.281 2.238 . . . . 14.48 114.971 171.234 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 49.3 ptt85 -66.05 -19.53 65.88 Favored 'General case' 0 C--O 1.211 -0.938 0 C-N-CA 117.296 -1.762 . . . . 19.870000000000001 114.535 -174.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 28.3 mp0 -82.42 -4.64 57.75 Favored 'General case' 0 C--O 1.247 0.951 0 CA-C-O 116.824 -1.56 . . . . 21.32 111.36 176.49 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -144.86 47.32 1.34 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 123.25 1.5 . . . . 24.120000000000001 112.425 -178.481 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 63.18 22.8 65.54 Favored Glycine 0 CA--C 1.489 -1.585 0 N-CA-C 118.736 2.254 . . . . 26.0 118.736 175.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.7 12.33 84.32 Favored Glycine 0 N--CA 1.434 -1.464 0 CA-C-O 126.412 3.229 . . . . 21.829999999999998 115.162 179.155 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -60.59 146.47 45.15 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 116.334 -2.146 . . . . 45.420000000000002 116.323 179.425 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -88.42 152.27 22.01 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 125.536 1.534 . . . . 26.649999999999999 107.886 173.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 92.9 m -74.54 149.13 86.1 Favored Pre-proline 0 N--CA 1.431 -1.39 0 O-C-N 120.35 -1.469 . . . . 17.399999999999999 109.912 175.945 -66.384 -80.631 -91.64 101.953 2.034 104.194 -72.854 -64.061 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_exo -71.71 164.36 35.93 Favored 'Trans proline' 0 C--O 1.247 0.943 0 CA-C-O 126.416 2.59 . . . . 17.710000000000001 107.923 173.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 50.93 34.47 10.56 Favored 'General case' 0 N--CA 1.415 -2.195 0 N-CA-C 118.982 2.956 . . . . 28.09 118.982 176.306 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 m120 60.02 21.61 10.74 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 116.168 1.914 . . . . 42.039999999999999 116.168 176.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.2 mt -71.51 154.07 41.74 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 118.994 -1.083 . . . . 18.670000000000002 110.442 177.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 39.5 m -77.24 141.1 40.18 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 113.637 -1.619 . . . . 13.51 112.06 175.566 -52.384 146.349 94.773 102.962 2.019 102.894 -65.297 -63.929 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.9 t -98.18 115.42 28.28 Favored 'General case' 0 CA--C 1.511 -0.529 0 O-C-N 125.977 2.048 . . . . 11.01 109.635 174.522 -177.096 73.08 93.728 100.722 2.035 102.259 92.658 59.529 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.1 p -67.13 167.28 12.32 Favored 'General case' 0 C--O 1.208 -1.086 0 CA-C-N 115.073 -0.967 . . . . 9.7699999999999996 112.045 -178.715 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -59.67 -18.49 42.49 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 113.451 -1.704 . . . . 14.390000000000001 113.915 178.062 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -102.92 2.62 35.43 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 115.102 1.519 . . . . 17.550000000000001 115.102 -179.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.82 26.35 19.95 Favored Glycine 0 N--CA 1.441 -0.995 0 N-CA-C 118.061 1.984 . . . . 11.66 118.061 176.354 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 88.8 m95 -120.68 147.07 45.76 Favored 'General case' 0 C--N 1.312 -1.034 0 O-C-N 120.94 -1.329 . . . . 16.829999999999998 110.015 -179.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 81.1 m -94.3 131.54 39.81 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 124.219 0.95 . . . . 11.710000000000001 112.602 -175.83 -64.061 -72.854 -91.64 104.194 2.034 101.953 -80.631 -66.384 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -165.64 -174.3 35.04 Favored Glycine 0 C--N 1.307 -1.035 0 CA-C-N 118.868 0.758 . . . . 11.49 111.573 179.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.0 m -131.93 4.91 4.18 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 116.61 2.078 . . . . 22.829999999999998 116.61 -171.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.6 p -102.04 174.02 6.12 Favored 'General case' 0 C--N 1.313 -0.986 0 O-C-N 125.957 2.036 . . . . 22.710000000000001 110.971 179.318 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -51.15 -41.77 60.34 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 115.011 1.485 . . . . 21.370000000000001 115.011 -177.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -64.46 -18.56 64.87 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 117.79 -1.564 . . . . 32.18 111.21 -176.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -99.84 -32.96 10.75 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 113.824 1.046 . . . . 20.82 113.824 178.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 79.7 m -105.21 -16.56 14.74 Favored 'General case' 0 CA--C 1.505 -0.783 0 N-CA-C 120.673 3.583 . . . . 14.220000000000001 120.673 -169.015 -63.929 -65.297 94.773 102.894 2.019 102.962 146.349 -52.384 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.0 t -84.1 138.01 39.9 Favored Pre-proline 0 N--CA 1.443 -0.783 0 N-CA-C 115.605 1.705 . . . . 21.989999999999998 115.605 -175.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_exo -60.74 -25.21 80.61 Favored 'Trans proline' 0 C--N 1.322 -0.856 0 O-C-N 123.061 1.032 . . . . 21.43 112.622 174.035 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -67.53 -24.64 65.57 Favored 'General case' 0 C--O 1.221 -0.44 0 O-C-N 120.936 -1.103 . . . . 38.729999999999997 110.347 -179.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -102.86 19.48 19.26 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.544 1.138 . . . . 27.48 111.53 177.309 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 58.83 41.11 22.01 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.115 -0.991 . . . . 17.379999999999999 111.935 173.559 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.3 t -53.49 138.44 33.73 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 120.068 -0.653 . . . . 12.84 109.465 172.8 168.384 -94.875 -93.26 101.526 2.024 101.804 -65.935 -47.289 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -91.04 -34.45 15.1 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 116.061 1.875 . . . . 14.82 116.061 -178.24 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.0 p -160.92 158.07 27.54 Favored 'General case' 0 C--O 1.25 1.096 0 C-N-CA 119.602 -0.839 . . . . 14.029999999999999 110.269 -177.749 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.7 m120 53.48 40.28 31.16 Favored 'General case' 0 N--CA 1.435 -1.201 0 C-N-CA 126.757 2.023 . . . . 27.41 108.548 -177.751 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.7 m -78.91 162.21 26.17 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 115.209 1.559 . . . . 20.289999999999999 115.209 -176.512 -47.289 -65.935 -93.26 101.804 2.024 101.526 -94.875 168.384 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -103.91 -164.32 1.05 Allowed 'General case' 0 C--O 1.24 0.586 0 C-N-CA 126.913 2.085 . . . . 39.259999999999998 108.593 177.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 p30 . . . . . 0 C--O 1.244 0.802 0 CA-C-N 123.402 2.819 . . . . 56.149999999999999 109.903 177.919 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' MPD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' MPD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 . . . . . 0 N--CA 1.477 0.878 0 N-CA-C 107.743 -1.206 . . . . 22.75 107.743 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -97.7 -24.31 15.55 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 117.289 2.329 . . . . 16.010000000000002 117.289 -174.22 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.8 p -158.84 170.94 21.01 Favored 'General case' 0 N--CA 1.438 -1.044 0 O-C-N 121.082 -1.011 . . . . 12.58 112.186 -172.275 59.529 92.658 93.728 102.259 2.035 100.722 73.08 -177.096 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.43 -160.35 52.09 Favored Glycine 0 N--CA 1.44 -1.096 0 O-C-N 126.281 2.238 . . . . 14.48 114.971 171.234 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 49.3 ptt85 -66.05 -19.53 65.88 Favored 'General case' 0 C--O 1.211 -0.938 0 C-N-CA 117.296 -1.762 . . . . 19.870000000000001 114.535 -174.906 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 28.3 mp0 -82.42 -4.64 57.75 Favored 'General case' 0 C--O 1.247 0.951 0 CA-C-O 116.824 -1.56 . . . . 21.32 111.36 176.49 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -144.86 47.32 1.34 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 123.25 1.5 . . . . 24.120000000000001 112.425 -178.481 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 63.18 22.8 65.54 Favored Glycine 0 CA--C 1.489 -1.585 0 N-CA-C 118.736 2.254 . . . . 26.0 118.736 175.447 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.7 12.33 84.32 Favored Glycine 0 N--CA 1.434 -1.464 0 CA-C-O 126.412 3.229 . . . . 21.829999999999998 115.162 179.155 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -60.59 146.47 45.15 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 116.334 -2.146 . . . . 45.420000000000002 116.323 179.425 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -88.42 152.27 22.01 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 125.536 1.534 . . . . 26.649999999999999 107.886 173.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 92.9 m -74.54 149.13 86.1 Favored Pre-proline 0 N--CA 1.431 -1.39 0 O-C-N 120.35 -1.469 . . . . 17.399999999999999 109.912 175.945 -66.384 -80.631 -91.64 101.953 2.034 104.194 -72.854 -64.061 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_exo -71.71 164.36 35.93 Favored 'Trans proline' 0 C--O 1.247 0.943 0 CA-C-O 126.416 2.59 . . . . 17.710000000000001 107.923 173.104 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ASN . . . . . 0.414 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 23.6 t30 50.93 34.47 10.56 Favored 'General case' 0 N--CA 1.415 -2.195 0 N-CA-C 118.982 2.956 . . . . 28.09 118.982 176.306 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ASN . . . . . 0.56 ' HA ' ' O ' ' A' ' 215' ' ' HOH . 2.9 m120 60.02 21.61 10.74 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 116.168 1.914 . . . . 42.039999999999999 116.168 176.865 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.2 mt -71.51 154.07 41.74 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 118.994 -1.083 . . . . 18.670000000000002 110.442 177.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 39.5 m -77.24 141.1 40.18 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 113.637 -1.619 . . . . 13.51 112.06 175.566 -52.384 146.349 94.773 102.962 2.019 102.894 -65.297 -63.929 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.9 t -98.18 115.42 28.28 Favored 'General case' 0 CA--C 1.511 -0.529 0 O-C-N 125.977 2.048 . . . . 11.01 109.635 174.522 -177.096 73.08 93.728 100.722 2.035 102.259 92.658 59.529 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.1 p -67.13 167.28 12.32 Favored 'General case' 0 C--O 1.208 -1.086 0 CA-C-N 115.073 -0.967 . . . . 9.7699999999999996 112.045 -178.715 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -59.67 -18.49 42.49 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 113.451 -1.704 . . . . 14.390000000000001 113.915 178.062 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -102.92 2.62 35.43 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 115.102 1.519 . . . . 17.550000000000001 115.102 -179.8 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.82 26.35 19.95 Favored Glycine 0 N--CA 1.441 -0.995 0 N-CA-C 118.061 1.984 . . . . 11.66 118.061 176.354 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' TRP . . . . . 0.603 ' CD1' ' H31' ' A' ' 102' ' ' MPD . 88.8 m95 -120.68 147.07 45.76 Favored 'General case' 0 C--N 1.312 -1.034 0 O-C-N 120.94 -1.329 . . . . 16.829999999999998 110.015 -179.111 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 81.1 m -94.3 131.54 39.81 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 124.219 0.95 . . . . 11.710000000000001 112.602 -175.83 -64.061 -72.854 -91.64 104.194 2.034 101.953 -80.631 -66.384 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -165.64 -174.3 35.04 Favored Glycine 0 C--N 1.307 -1.035 0 CA-C-N 118.868 0.758 . . . . 11.49 111.573 179.866 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.0 m -131.93 4.91 4.18 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 116.61 2.078 . . . . 22.829999999999998 116.61 -171.333 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.6 p -102.04 174.02 6.12 Favored 'General case' 0 C--N 1.313 -0.986 0 O-C-N 125.957 2.036 . . . . 22.710000000000001 110.971 179.318 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -51.15 -41.77 60.34 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 115.011 1.485 . . . . 21.370000000000001 115.011 -177.874 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -64.46 -18.56 64.87 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 117.79 -1.564 . . . . 32.18 111.21 -176.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -99.84 -32.96 10.75 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 113.824 1.046 . . . . 20.82 113.824 178.48 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 79.7 m -105.21 -16.56 14.74 Favored 'General case' 0 CA--C 1.505 -0.783 0 N-CA-C 120.673 3.583 . . . . 14.220000000000001 120.673 -169.015 -63.929 -65.297 94.773 102.894 2.019 102.962 146.349 -52.384 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.0 t -84.1 138.01 39.9 Favored Pre-proline 0 N--CA 1.443 -0.783 0 N-CA-C 115.605 1.705 . . . . 21.989999999999998 115.605 -175.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_exo -60.74 -25.21 80.61 Favored 'Trans proline' 0 C--N 1.322 -0.856 0 O-C-N 123.061 1.032 . . . . 21.43 112.622 174.035 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -67.53 -24.64 65.57 Favored 'General case' 0 C--O 1.221 -0.44 0 O-C-N 120.936 -1.103 . . . . 38.729999999999997 110.347 -179.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -102.86 19.48 19.26 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.544 1.138 . . . . 27.48 111.53 177.309 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 58.83 41.11 22.01 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.115 -0.991 . . . . 17.379999999999999 111.935 173.559 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.3 t -53.49 138.44 33.73 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 120.068 -0.653 . . . . 12.84 109.465 172.8 168.384 -94.875 -93.26 101.526 2.024 101.804 -65.935 -47.289 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -91.04 -34.45 15.1 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 116.061 1.875 . . . . 14.82 116.061 -178.24 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.0 p -160.92 158.07 27.54 Favored 'General case' 0 C--O 1.25 1.096 0 C-N-CA 119.602 -0.839 . . . . 14.029999999999999 110.269 -177.749 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.7 m120 53.48 40.28 31.16 Favored 'General case' 0 N--CA 1.435 -1.201 0 C-N-CA 126.757 2.023 . . . . 27.41 108.548 -177.751 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.7 m -78.91 162.21 26.17 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 115.209 1.559 . . . . 20.289999999999999 115.209 -176.512 -47.289 -65.935 -93.26 101.804 2.024 101.526 -94.875 168.384 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -103.91 -164.32 1.05 Allowed 'General case' 0 C--O 1.24 0.586 0 C-N-CA 126.913 2.085 . . . . 39.259999999999998 108.593 177.8 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 p30 . . . . . 0 C--O 1.244 0.802 0 CA-C-N 123.402 2.819 . . . . 56.149999999999999 109.903 177.919 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' MPD . . . . . 0.739 ' H11' ' O ' ' A' ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' MPD . . . . . 0.696 ' H4 ' ' O ' ' A' ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . 0.696 ' O ' ' H4 ' ' A' ' 102' ' ' MPD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . 0.56 ' O ' ' HA ' ' A' ' 15' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 224' ' ' HOH . . . . . 0.739 ' O ' ' H11' ' A' ' 101' ' ' MPD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 . . . . . 0 N--CA 1.477 0.878 0 N-CA-C 107.743 -1.206 . . . . 22.75 107.743 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -97.7 -24.31 15.55 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 117.289 2.329 . . . . 16.010000000000002 117.289 -174.22 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.8 p -158.84 170.94 21.01 Favored 'General case' 0 N--CA 1.438 -1.044 0 O-C-N 121.082 -1.011 . . . . 12.58 112.186 -172.275 59.529 92.658 93.728 102.259 2.035 100.722 73.08 -177.096 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.43 -160.35 52.09 Favored Glycine 0 N--CA 1.44 -1.096 0 O-C-N 126.281 2.238 . . . . 14.48 114.971 171.234 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 49.3 ptt85 -66.05 -19.53 65.88 Favored 'General case' 0 C--O 1.211 -0.938 0 C-N-CA 117.296 -1.762 . . . . 19.870000000000001 114.535 -174.906 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 28.3 mp0 -82.42 -4.64 57.75 Favored 'General case' 0 C--O 1.247 0.951 0 CA-C-O 116.824 -1.56 . . . . 21.32 111.36 176.49 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -144.86 47.32 1.34 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 123.25 1.5 . . . . 24.120000000000001 112.425 -178.481 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 63.18 22.8 65.54 Favored Glycine 0 CA--C 1.489 -1.585 0 N-CA-C 118.736 2.254 . . . . 26.0 118.736 175.447 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.7 12.33 84.32 Favored Glycine 0 N--CA 1.434 -1.464 0 CA-C-O 126.412 3.229 . . . . 21.829999999999998 115.162 179.155 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -60.59 146.47 45.15 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 116.334 -2.146 . . . . 45.420000000000002 116.323 179.425 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -88.42 152.27 22.01 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 125.536 1.534 . . . . 26.649999999999999 107.886 173.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 92.9 m -74.54 149.13 86.1 Favored Pre-proline 0 N--CA 1.431 -1.39 0 O-C-N 120.35 -1.469 . . . . 17.399999999999999 109.912 175.945 -66.384 -80.631 -91.64 101.953 2.034 104.194 -72.854 -64.061 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_exo -71.71 164.36 35.93 Favored 'Trans proline' 0 C--O 1.247 0.943 0 CA-C-O 126.416 2.59 . . . . 17.710000000000001 107.923 173.104 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.414 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 0.6 OUTLIER 50.93 34.47 10.56 Favored 'General case' 0 N--CA 1.415 -2.195 0 N-CA-C 118.982 2.956 . . . . 28.09 118.982 176.306 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.56 ' HA ' ' O ' ' A' ' 215' ' ' HOH . 2.9 m120 60.02 21.61 10.74 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 116.168 1.914 . . . . 42.039999999999999 116.168 176.865 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.2 mt -71.51 154.07 41.74 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 118.994 -1.083 . . . . 18.670000000000002 110.442 177.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 39.5 m -77.24 141.1 40.18 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 113.637 -1.619 . . . . 13.51 112.06 175.566 -52.384 146.349 94.773 102.962 2.019 102.894 -65.297 -63.929 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.9 t -98.18 115.42 28.28 Favored 'General case' 0 CA--C 1.511 -0.529 0 O-C-N 125.977 2.048 . . . . 11.01 109.635 174.522 -177.096 73.08 93.728 100.722 2.035 102.259 92.658 59.529 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.1 p -67.13 167.28 12.32 Favored 'General case' 0 C--O 1.208 -1.086 0 CA-C-N 115.073 -0.967 . . . . 9.7699999999999996 112.045 -178.715 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -59.67 -18.49 42.49 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 113.451 -1.704 . . . . 14.390000000000001 113.915 178.062 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -102.92 2.62 35.43 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 115.102 1.519 . . . . 17.550000000000001 115.102 -179.8 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.82 26.35 19.95 Favored Glycine 0 N--CA 1.441 -0.995 0 N-CA-C 118.061 1.984 . . . . 11.66 118.061 176.354 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.603 ' CD1' ' H31' ' A' ' 102' ' ' MPD . 88.8 m95 -120.68 147.07 45.76 Favored 'General case' 0 C--N 1.312 -1.034 0 O-C-N 120.94 -1.329 . . . . 16.829999999999998 110.015 -179.111 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 81.1 m -94.3 131.54 39.81 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 124.219 0.95 . . . . 11.710000000000001 112.602 -175.83 -64.061 -72.854 -91.64 104.194 2.034 101.953 -80.631 -66.384 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -165.64 -174.3 35.04 Favored Glycine 0 C--N 1.307 -1.035 0 CA-C-N 118.868 0.758 . . . . 11.49 111.573 179.866 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.0 m -131.93 4.91 4.18 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 116.61 2.078 . . . . 22.829999999999998 116.61 -171.333 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.6 p -102.04 174.02 6.12 Favored 'General case' 0 C--N 1.313 -0.986 0 O-C-N 125.957 2.036 . . . . 22.710000000000001 110.971 179.318 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -51.15 -41.77 60.34 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 115.011 1.485 . . . . 21.370000000000001 115.011 -177.874 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -64.46 -18.56 64.87 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 117.79 -1.564 . . . . 32.18 111.21 -176.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -99.84 -32.96 10.75 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 113.824 1.046 . . . . 20.82 113.824 178.48 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 79.7 m -105.21 -16.56 14.74 Favored 'General case' 0 CA--C 1.505 -0.783 0 N-CA-C 120.673 3.583 . . . . 14.220000000000001 120.673 -169.015 -63.929 -65.297 94.773 102.894 2.019 102.962 146.349 -52.384 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.0 t -84.1 138.01 39.9 Favored Pre-proline 0 N--CA 1.443 -0.783 0 N-CA-C 115.605 1.705 . . . . 21.989999999999998 115.605 -175.476 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_exo -60.74 -25.21 80.61 Favored 'Trans proline' 0 C--N 1.322 -0.856 0 O-C-N 123.061 1.032 . . . . 21.43 112.622 174.035 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -67.53 -24.64 65.57 Favored 'General case' 0 C--O 1.221 -0.44 0 O-C-N 120.936 -1.103 . . . . 38.729999999999997 110.347 -179.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -102.86 19.48 19.26 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.544 1.138 . . . . 27.48 111.53 177.309 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 58.83 41.11 22.01 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.115 -0.991 . . . . 17.379999999999999 111.935 173.559 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.3 t -53.49 138.44 33.73 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 120.068 -0.653 . . . . 12.84 109.465 172.8 168.384 -94.875 -93.26 101.526 2.024 101.804 -65.935 -47.289 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -91.04 -34.45 15.1 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 116.061 1.875 . . . . 14.82 116.061 -178.24 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.0 p -160.92 158.07 27.54 Favored 'General case' 0 C--O 1.25 1.096 0 C-N-CA 119.602 -0.839 . . . . 14.029999999999999 110.269 -177.749 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.7 m120 53.48 40.28 31.16 Favored 'General case' 0 N--CA 1.435 -1.201 0 C-N-CA 126.757 2.023 . . . . 27.41 108.548 -177.751 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.7 m -78.91 162.21 26.17 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 115.209 1.559 . . . . 20.289999999999999 115.209 -176.512 -47.289 -65.935 -93.26 101.804 2.024 101.526 -94.875 168.384 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -103.91 -164.32 1.05 Allowed 'General case' 0 C--O 1.24 0.586 0 C-N-CA 126.913 2.085 . . . . 39.259999999999998 108.593 177.8 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 p30 . . . . . 0 C--O 1.244 0.802 0 CA-C-N 123.402 2.819 . . . . 56.149999999999999 109.903 177.919 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' MPD . . . . . 0.739 ' H11' ' O ' ' A' ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' MPD . . . . . 0.696 ' H4 ' ' O ' ' A' ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . 0.696 ' O ' ' H4 ' ' A' ' 102' ' ' MPD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . 0.56 ' O ' ' HA ' ' A' ' 15' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 224' ' ' HOH . . . . . 0.739 ' O ' ' H11' ' A' ' 101' ' ' MPD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_