data_5ki9_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 5ki9 _Structure_validation_residue.Date_analyzed 2017-06-24 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 . . . . . . . . . . . . . 84.2 tt0 . . . . . 0 CA--C 1.474 -1.977 0 N-CA-C 105.686 -1.968 . . . . 67.77 105.686 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -124.47 174.06 8.04 Favored 'General case' 0 N--CA 1.414 -2.265 0 CA-C-N 114.693 -1.139 . . . . 58.64 108.888 173.831 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -133.22 131.75 40.69 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 105.881 -1.896 . . . . 66.63 105.881 170.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 mt -89.71 104.62 17.16 Favored 'General case' 0 C--N 1.315 -0.914 0 C-N-CA 119.855 -0.738 . . . . 44.39 111.632 171.47 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -99.83 141.53 32.52 Favored 'General case' 0 C--N 1.312 -1.024 0 O-C-N 121.734 -0.604 . . . . 54.67 109.746 -175.475 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 58.6 ttm-85 -79.51 138.27 37.47 Favored 'General case' 0 C--O 1.254 1.32 0 CA-C-O 121.087 0.47 . . . . 64.94 111.974 179.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.5 mm -98.47 116.49 41.45 Favored 'Isoleucine or valine' 0 C--O 1.245 0.865 0 N-CA-C 101.782 -3.414 . . . . 42.84 101.782 172.061 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.1 p -105.69 -165.08 1.08 Allowed 'General case' 0 N--CA 1.433 -1.279 0 CA-C-O 121.201 0.524 . . . . 38.6 111.149 -176.72 55.312 111.48 104.385 104.997 2.076 106.288 60.582 -179.42 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 58.51 42.35 95.89 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 118.988 -1.577 . . . . 37.83 112.698 -179.727 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 54.91 31.6 16.19 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 113.647 0.98 . . . . 60.79 113.647 -179.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.93 12.51 52.51 Favored Glycine 0 C--O 1.255 1.452 0 CA-C-O 117.725 -1.597 . . . . 37.34 113.093 175.207 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.8 p -105.59 -15.03 15.09 Favored 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 114.395 1.257 . . . . 35.14 114.395 -178.724 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.5 168.37 19.6 Favored 'General case' 0 CA--C 1.502 -0.88 0 O-C-N 121.5 -0.75 . . . . 35.92 110.865 -164.891 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ARG . . . . . 0.433 ' CD ' ' CZ ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -122.9 142.86 50.33 Favored 'General case' 0 N--CA 1.423 -1.789 0 C-N-CA 118.235 -1.386 . . . . 68.43 110.702 -176.491 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 74.7 m -77.86 123.33 26.62 Favored 'General case' 0 C--O 1.269 2.096 0 CA-C-N 115.326 -0.852 . . . . 45.78 110.473 174.149 -61.404 -76.213 -97.014 102.215 2.016 102.381 -149.342 -51.352 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ARG . . . . . 0.433 ' CZ ' ' CD ' ' A' ' 14' ' ' ARG . 88.5 mtt-85 -132.8 157.57 44.64 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 114.389 1.255 . . . . 48.8 114.389 175.232 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.496 0 N-CA-C 107.074 -1.454 . . . . 80.56 107.074 172.533 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.379 0 N-CA-C 106.757 -1.571 . . . . 80.47 106.757 -176.774 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 71.5 m -60.71 145.61 48.81 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 114.385 1.254 . . . . 45.17 114.385 173.276 -62.258 -37.52 -87.148 109.428 2.092 102.168 -74.638 -58.368 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ARG . . . . . 0.45 ' NH1' ' C1 ' ' A' ' 104' ' ' TFA . 22.0 mtp180 -71.17 157.43 38.17 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 115.588 -0.733 . . . . 49.03 110.072 175.966 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 51.1 p -52.67 -35.95 56.12 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 114.36 1.245 . . . . 52.76 114.36 -178.424 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -99.24 34.8 2.07 Favored 'General case' 0 N--CA 1.497 1.916 0 C-N-CA 118.442 -1.303 . . . . 62.04 114.414 176.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -125.1 156.49 38.21 Favored 'General case' 0 CA--C 1.504 -0.798 0 N-CA-C 108.526 -0.916 . . . . 40.05 108.526 173.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . 0.275 19.0 m-85 -109.2 146.41 34.21 Favored 'General case' 0 C--O 1.241 0.637 0 N-CA-C 109.237 -0.653 . . . . 50.84 109.237 172.077 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.78 133.07 39.54 Favored 'General case' 0 C--O 1.247 0.968 0 N-CA-C 107.006 -1.479 . . . . 72.26 107.006 170.249 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 23.5 pt -127.42 22.48 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.193 0 C-N-CA 119.438 -0.905 . . . . 44.56 110.063 175.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 143.4 -163.79 27.44 Favored Glycine 0 C--O 1.219 -0.825 0 C-N-CA 120.401 -0.904 . . . . 45.59 112.934 177.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -123.86 142.35 51.21 Favored 'General case' 0 N--CA 1.434 -1.24 0 C-N-CA 124.292 1.037 . . . . 70.46 109.81 178.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 35.2 m -84.53 158.24 60.37 Favored Pre-proline 0 CA--C 1.552 1.041 0 CA-C-N 116.176 -0.465 . . . . 58.99 111.47 167.292 -51.352 -149.342 -97.014 102.381 2.016 102.215 -76.213 -61.404 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -64.2 -25.33 65.16 Favored 'Trans proline' 0 C--O 1.244 0.787 0 C-N-CA 122.481 2.121 . . . . 68.14 111.777 -172.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ASN . . . . . 0.63 ' O ' ' CB ' ' A' ' 32' ' ' THR . 29.8 p-10 -75.89 -5.6 46.83 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 113.084 0.772 . . . . 71.4 113.084 173.563 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' THR . . . . . 0.63 ' CB ' ' O ' ' A' ' 31' ' ' ASN . 1.5 t 112.47 -26.91 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 115.808 1.781 . . . . 71.12 115.808 178.188 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.5 m-30 -64.84 163.15 14.82 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 114.746 -1.115 . . . . 67.85 112.424 -174.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.72 145.68 34.36 Favored 'General case' 0 C--O 1.212 -0.9 0 N-CA-C 107.968 -1.123 . . . . 47.31 107.968 175.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 54.0 t -97.53 122.69 40.87 Favored 'General case' 0 CA--C 1.504 -0.82 0 N-CA-C 106.142 -1.799 . . . . 39.64 106.142 172.987 -179.42 60.582 104.385 106.288 2.076 104.997 111.48 55.312 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 69.6 m -123.07 121.24 35.54 Favored 'General case' 0 CA--C 1.496 -1.12 0 C-N-CA 119.423 -0.911 . . . . 37.43 110.903 -164.629 -58.368 -74.638 -87.148 102.168 2.092 109.428 -37.52 -62.258 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 55.4 tp -104.43 129.75 52.38 Favored 'General case' 0 N--CA 1.483 1.19 0 O-C-N 124.378 1.048 . . . . 33.37 110.869 -177.647 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 -65.86 138.16 57.69 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 112.525 0.565 . . . . 48.97 112.525 179.699 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.61 0 N-CA-C 107.412 -1.329 . . . . 66.85 107.412 162.406 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 14.5 t-105 -44.73 -35.66 2.79 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 107.864 -1.162 . . . . 75.11 107.864 166.845 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -68.78 -30.19 68.73 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 116.716 2.117 . . . . 66.91 116.716 -175.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -60.28 -47.54 85.57 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 123.564 0.54 . . . . 59.69 110.067 171.419 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.473 0.676 0 C-N-CA 126.93 2.092 . . . . 65.0 109.017 171.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' TFA . . . . . 0.45 ' C1 ' ' NH1' ' A' ' 20' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 . . . . . 0 CA--C 1.474 -1.977 0 N-CA-C 105.686 -1.968 . . . . 67.769999999999996 105.686 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -124.47 174.06 8.04 Favored 'General case' 0 N--CA 1.414 -2.265 0 CA-C-N 114.693 -1.139 . . . . 58.640000000000001 108.888 173.831 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLU . . . . . 0.49 ' HG2' ' OD1' ' A' ' 5' ' ' ASP . 39.4 tt0 -133.22 131.75 40.69 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 105.881 -1.896 . . . . 66.629999999999995 105.881 170.38 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 mt -89.71 104.62 17.16 Favored 'General case' 0 C--N 1.315 -0.914 0 C-N-CA 119.855 -0.738 . . . . 44.390000000000001 111.632 171.47 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ASP . . . . . 0.49 ' OD1' ' HG2' ' A' ' 3' ' ' GLU . 78.0 m-20 -99.83 141.53 32.52 Favored 'General case' 0 C--N 1.312 -1.024 0 O-C-N 121.734 -0.604 . . . . 54.670000000000002 109.746 -175.475 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 58.6 ttm-85 -79.51 138.27 37.47 Favored 'General case' 0 C--O 1.254 1.32 0 CA-C-O 121.087 0.47 . . . . 64.939999999999998 111.974 179.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.5 mm -98.47 116.49 41.45 Favored 'Isoleucine or valine' 0 C--O 1.245 0.865 0 N-CA-C 101.782 -3.414 . . . . 42.840000000000003 101.782 172.061 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.1 p -105.69 -165.08 1.08 Allowed 'General case' 0 N--CA 1.433 -1.279 0 CA-C-O 121.201 0.524 . . . . 38.600000000000001 111.149 -176.72 55.312 111.48 104.385 104.997 2.076 106.288 60.582 -179.42 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 58.51 42.35 95.89 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 118.988 -1.577 . . . . 37.829999999999998 112.698 -179.727 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 54.91 31.6 16.19 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 113.647 0.98 . . . . 60.789999999999999 113.647 -179.376 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.93 12.51 52.51 Favored Glycine 0 C--O 1.255 1.452 0 CA-C-O 117.725 -1.597 . . . . 37.340000000000003 113.093 175.207 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.8 p -105.59 -15.03 15.09 Favored 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 114.395 1.257 . . . . 35.140000000000001 114.395 -178.724 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.5 168.37 19.6 Favored 'General case' 0 CA--C 1.502 -0.88 0 O-C-N 121.5 -0.75 . . . . 35.920000000000002 110.865 -164.891 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ARG . . . . . 0.433 ' CD ' ' CZ ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -122.9 142.86 50.33 Favored 'General case' 0 N--CA 1.423 -1.789 0 C-N-CA 118.235 -1.386 . . . . 68.430000000000007 110.702 -176.491 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 74.7 m -77.86 123.33 26.62 Favored 'General case' 0 C--O 1.269 2.096 0 CA-C-N 115.326 -0.852 . . . . 45.780000000000001 110.473 174.149 -61.404 -76.213 -97.014 102.215 2.016 102.381 -149.342 -51.352 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ARG . . . . . 0.433 ' CZ ' ' CD ' ' A' ' 14' ' ' ARG . 88.5 mtt-85 -132.8 157.57 44.64 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 114.389 1.255 . . . . 48.799999999999997 114.389 175.232 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.496 0 N-CA-C 107.074 -1.454 . . . . 80.560000000000002 107.074 172.533 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 18' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.379 0 N-CA-C 106.757 -1.571 . . . . 80.469999999999999 106.757 -176.774 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 71.5 m -60.71 145.61 48.81 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 114.385 1.254 . . . . 45.170000000000002 114.385 173.276 -62.258 -37.52 -87.148 109.428 2.092 102.168 -74.638 -58.368 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ARG . . . . . 0.539 HH11 ' C1 ' ' A' ' 104' ' ' TFA . 22.0 mtp180 -71.17 157.43 38.17 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 115.588 -0.733 . . . . 49.030000000000001 110.072 175.966 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 51.1 p -52.67 -35.95 56.12 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 114.36 1.245 . . . . 52.759999999999998 114.36 -178.424 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -99.24 34.8 2.07 Favored 'General case' 0 N--CA 1.497 1.916 0 C-N-CA 118.442 -1.303 . . . . 62.039999999999999 114.414 176.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -125.1 156.49 38.21 Favored 'General case' 0 CA--C 1.504 -0.798 0 N-CA-C 108.526 -0.916 . . . . 40.049999999999997 108.526 173.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . 0.275 19.0 m-85 -109.2 146.41 34.21 Favored 'General case' 0 C--O 1.241 0.637 0 N-CA-C 109.237 -0.653 . . . . 50.840000000000003 109.237 172.077 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.78 133.07 39.54 Favored 'General case' 0 C--O 1.247 0.968 0 N-CA-C 107.006 -1.479 . . . . 72.260000000000005 107.006 170.249 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 23.5 pt -127.42 22.48 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.193 0 C-N-CA 119.438 -0.905 . . . . 44.560000000000002 110.063 175.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 143.4 -163.79 27.44 Favored Glycine 0 C--O 1.219 -0.825 0 C-N-CA 120.401 -0.904 . . . . 45.590000000000003 112.934 177.327 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -123.86 142.35 51.21 Favored 'General case' 0 N--CA 1.434 -1.24 0 C-N-CA 124.292 1.037 . . . . 70.459999999999994 109.81 178.88 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 35.2 m -84.53 158.24 60.37 Favored Pre-proline 0 CA--C 1.552 1.041 0 CA-C-N 116.176 -0.465 . . . . 58.990000000000002 111.47 167.292 -51.352 -149.342 -97.014 102.381 2.016 102.215 -76.213 -61.404 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -64.2 -25.33 65.16 Favored 'Trans proline' 0 C--O 1.244 0.787 0 C-N-CA 122.481 2.121 . . . . 68.140000000000001 111.777 -172.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ASN . . . . . 0.67 ' O ' HG22 ' A' ' 32' ' ' THR . 29.8 p-10 -75.89 -5.6 46.83 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 113.084 0.772 . . . . 71.400000000000006 113.084 173.563 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' THR . . . . . 0.67 HG22 ' O ' ' A' ' 31' ' ' ASN . 1.5 t 112.47 -26.91 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 115.808 1.781 . . . . 71.120000000000005 115.808 178.188 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.5 m-30 -64.84 163.15 14.82 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 114.746 -1.115 . . . . 67.849999999999994 112.424 -174.134 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.72 145.68 34.36 Favored 'General case' 0 C--O 1.212 -0.9 0 N-CA-C 107.968 -1.123 . . . . 47.310000000000002 107.968 175.821 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 54.0 t -97.53 122.69 40.87 Favored 'General case' 0 CA--C 1.504 -0.82 0 N-CA-C 106.142 -1.799 . . . . 39.640000000000001 106.142 172.987 -179.42 60.582 104.385 106.288 2.076 104.997 111.48 55.312 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 69.6 m -123.07 121.24 35.54 Favored 'General case' 0 CA--C 1.496 -1.12 0 C-N-CA 119.423 -0.911 . . . . 37.43 110.903 -164.629 -58.368 -74.638 -87.148 102.168 2.092 109.428 -37.52 -62.258 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 55.4 tp -104.43 129.75 52.38 Favored 'General case' 0 N--CA 1.483 1.19 0 O-C-N 124.378 1.048 . . . . 33.369999999999997 110.869 -177.647 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 -65.86 138.16 57.69 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 112.525 0.565 . . . . 48.969999999999999 112.525 179.699 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.61 0 N-CA-C 107.412 -1.329 . . . . 66.849999999999994 107.412 162.406 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 14.5 t-105 -44.73 -35.66 2.79 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 107.864 -1.162 . . . . 75.109999999999999 107.864 166.845 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -68.78 -30.19 68.73 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 116.716 2.117 . . . . 66.909999999999997 116.716 -175.247 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -60.28 -47.54 85.57 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 123.564 0.54 . . . . 59.689999999999998 110.067 171.419 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.473 0.676 0 C-N-CA 126.93 2.092 . . . . 65.0 109.017 171.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' TFA . . . . . 0.539 ' C1 ' HH11 ' A' ' 20' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 0 . 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 0 . 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 nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 . . . . . 0 CA--C 1.474 -1.977 0 N-CA-C 105.686 -1.968 . . . . 67.769999999999996 105.686 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -124.47 174.06 8.04 Favored 'General case' 0 N--CA 1.414 -2.265 0 CA-C-N 114.693 -1.139 . . . . 58.640000000000001 108.888 173.831 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.49 ' HG2' ' OD1' ' A' ' 5' ' ' ASP . 39.4 tt0 -133.22 131.75 40.69 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 105.881 -1.896 . . . . 66.629999999999995 105.881 170.38 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 mt -89.71 104.62 17.16 Favored 'General case' 0 C--N 1.315 -0.914 0 C-N-CA 119.855 -0.738 . . . . 44.390000000000001 111.632 171.47 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.49 ' OD1' ' HG2' ' A' ' 3' ' ' GLU . 78.0 m-20 -99.83 141.53 32.52 Favored 'General case' 0 C--N 1.312 -1.024 0 O-C-N 121.734 -0.604 . . . . 54.670000000000002 109.746 -175.475 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 58.6 ttm-85 -79.51 138.27 37.47 Favored 'General case' 0 C--O 1.254 1.32 0 CA-C-O 121.087 0.47 . . . . 64.939999999999998 111.974 179.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.5 mm -98.47 116.49 41.45 Favored 'Isoleucine or valine' 0 C--O 1.245 0.865 0 N-CA-C 101.782 -3.414 . . . . 42.840000000000003 101.782 172.061 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.1 p -105.69 -165.08 1.08 Allowed 'General case' 0 N--CA 1.433 -1.279 0 CA-C-O 121.201 0.524 . . . . 38.600000000000001 111.149 -176.72 55.312 111.48 104.385 104.997 2.076 106.288 60.582 -179.42 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 58.51 42.35 95.89 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 118.988 -1.577 . . . . 37.829999999999998 112.698 -179.727 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 54.91 31.6 16.19 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 113.647 0.98 . . . . 60.789999999999999 113.647 -179.376 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.93 12.51 52.51 Favored Glycine 0 C--O 1.255 1.452 0 CA-C-O 117.725 -1.597 . . . . 37.340000000000003 113.093 175.207 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.8 p -105.59 -15.03 15.09 Favored 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 114.395 1.257 . . . . 35.140000000000001 114.395 -178.724 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.5 168.37 19.6 Favored 'General case' 0 CA--C 1.502 -0.88 0 O-C-N 121.5 -0.75 . . . . 35.920000000000002 110.865 -164.891 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.433 ' CD ' ' CZ ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -122.9 142.86 50.33 Favored 'General case' 0 N--CA 1.423 -1.789 0 C-N-CA 118.235 -1.386 . . . . 68.430000000000007 110.702 -176.491 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 74.7 m -77.86 123.33 26.62 Favored 'General case' 0 C--O 1.269 2.096 0 CA-C-N 115.326 -0.852 . . . . 45.780000000000001 110.473 174.149 -61.404 -76.213 -97.014 102.215 2.016 102.381 -149.342 -51.352 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.433 ' CZ ' ' CD ' ' A' ' 14' ' ' ARG . 88.5 mtt-85 -132.8 157.57 44.64 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 114.389 1.255 . . . . 48.799999999999997 114.389 175.232 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.496 0 N-CA-C 107.074 -1.454 . . . . 80.560000000000002 107.074 172.533 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.379 0 N-CA-C 106.757 -1.571 . . . . 80.469999999999999 106.757 -176.774 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 71.5 m -60.71 145.61 48.81 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 114.385 1.254 . . . . 45.170000000000002 114.385 173.276 -62.258 -37.52 -87.148 109.428 2.092 102.168 -74.638 -58.368 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.539 HH11 ' C1 ' ' A' ' 104' ' ' TFA . 22.0 mtp180 -71.17 157.43 38.17 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 115.588 -0.733 . . . . 49.030000000000001 110.072 175.966 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 51.1 p -52.67 -35.95 56.12 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 114.36 1.245 . . . . 52.759999999999998 114.36 -178.424 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -99.24 34.8 2.07 Favored 'General case' 0 N--CA 1.497 1.916 0 C-N-CA 118.442 -1.303 . . . . 62.039999999999999 114.414 176.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -125.1 156.49 38.21 Favored 'General case' 0 CA--C 1.504 -0.798 0 N-CA-C 108.526 -0.916 . . . . 40.049999999999997 108.526 173.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . 0.275 19.0 m-85 -109.2 146.41 34.21 Favored 'General case' 0 C--O 1.241 0.637 0 N-CA-C 109.237 -0.653 . . . . 50.840000000000003 109.237 172.077 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.78 133.07 39.54 Favored 'General case' 0 C--O 1.247 0.968 0 N-CA-C 107.006 -1.479 . . . . 72.260000000000005 107.006 170.249 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 23.5 pt -127.42 22.48 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.193 0 C-N-CA 119.438 -0.905 . . . . 44.560000000000002 110.063 175.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 143.4 -163.79 27.44 Favored Glycine 0 C--O 1.219 -0.825 0 C-N-CA 120.401 -0.904 . . . . 45.590000000000003 112.934 177.327 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -123.86 142.35 51.21 Favored 'General case' 0 N--CA 1.434 -1.24 0 C-N-CA 124.292 1.037 . . . . 70.459999999999994 109.81 178.88 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 35.2 m -84.53 158.24 60.37 Favored Pre-proline 0 CA--C 1.552 1.041 0 CA-C-N 116.176 -0.465 . . . . 58.990000000000002 111.47 167.292 -51.352 -149.342 -97.014 102.381 2.016 102.215 -76.213 -61.404 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -64.2 -25.33 65.16 Favored 'Trans proline' 0 C--O 1.244 0.787 0 C-N-CA 122.481 2.121 . . . . 68.140000000000001 111.777 -172.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.67 ' O ' HG22 ' A' ' 32' ' ' THR . 29.8 p-10 -75.89 -5.6 46.83 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 113.084 0.772 . . . . 71.400000000000006 113.084 173.563 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' THR . . . . . 0.67 HG22 ' O ' ' A' ' 31' ' ' ASN . 1.5 t 112.47 -26.91 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 115.808 1.781 . . . . 71.120000000000005 115.808 178.188 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.5 m-30 -64.84 163.15 14.82 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 114.746 -1.115 . . . . 67.849999999999994 112.424 -174.134 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.72 145.68 34.36 Favored 'General case' 0 C--O 1.212 -0.9 0 N-CA-C 107.968 -1.123 . . . . 47.310000000000002 107.968 175.821 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 54.0 t -97.53 122.69 40.87 Favored 'General case' 0 CA--C 1.504 -0.82 0 N-CA-C 106.142 -1.799 . . . . 39.640000000000001 106.142 172.987 -179.42 60.582 104.385 106.288 2.076 104.997 111.48 55.312 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 69.6 m -123.07 121.24 35.54 Favored 'General case' 0 CA--C 1.496 -1.12 0 C-N-CA 119.423 -0.911 . . . . 37.43 110.903 -164.629 -58.368 -74.638 -87.148 102.168 2.092 109.428 -37.52 -62.258 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 55.4 tp -104.43 129.75 52.38 Favored 'General case' 0 N--CA 1.483 1.19 0 O-C-N 124.378 1.048 . . . . 33.369999999999997 110.869 -177.647 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 -65.86 138.16 57.69 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 112.525 0.565 . . . . 48.969999999999999 112.525 179.699 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.61 0 N-CA-C 107.412 -1.329 . . . . 66.849999999999994 107.412 162.406 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 14.5 t-105 -44.73 -35.66 2.79 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 107.864 -1.162 . . . . 75.109999999999999 107.864 166.845 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -68.78 -30.19 68.73 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 116.716 2.117 . . . . 66.909999999999997 116.716 -175.247 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -60.28 -47.54 85.57 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 123.564 0.54 . . . . 59.689999999999998 110.067 171.419 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.473 0.676 0 C-N-CA 126.93 2.092 . . . . 65.0 109.017 171.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' TFA . . . . . 0.539 ' C1 ' HH11 ' A' ' 20' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 0 . 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 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_