data_3wup_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 3wup _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 ' 630' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.501 2.09 0 CA-C-O 119.507 -0.282 . . . . 60.049999999999997 111.454 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 631' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.75 31.62 2.28 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-O 122.093 0.949 . . . . 57.280000000000001 109.559 160.039 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -131.76 139.6 48.99 Favored 'General case' 0 CA--C 1.498 -1.028 0 N-CA-C 107.585 -1.265 . . . . 46.810000000000002 107.585 -178.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 633' ' ' VAL . . . . . . . . . . . . . 13.3 m -132.46 150.67 76.55 Favored Pre-proline 0 C--N 1.316 -0.878 0 N-CA-C 107.796 -1.186 . . . . 29.07 107.796 -175.382 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 634' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -75.72 132.63 14.68 Favored 'Trans proline' 0 C--O 1.249 1.052 0 CA-C-O 123.443 1.351 . . . . 23.620000000000001 111.769 175.053 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 635' ' ' CYS . . . . . . . . . . . . . 21.5 t -59.79 136.49 58.02 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 114.796 -1.093 . . . . 19.27 111.436 174.212 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -64.9 -29.42 70.36 Favored 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 114.782 1.401 . . . . 51.149999999999999 114.782 178.249 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 637' ' ' LYS . . . . . 0.541 ' NZ ' ' OE2' ' A' ' 658' ' ' GLU . 7.4 tttt -83.04 -46.54 12.72 Favored 'General case' 0 CA--C 1.498 -1.02 0 CA-C-N 118.249 0.477 . . . . 35.890000000000001 112.082 -176.73 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 638' ' ' CYS . . . . . . . . . . . . . 20.5 p -116.88 -10.62 10.97 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 117.943 -1.503 . . . . 19.120000000000001 114.955 -173.026 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . 82.85 -5.68 74.13 Favored Glycine 0 N--CA 1.472 1.044 0 N-CA-C 116.319 1.288 . . . . 17.859999999999999 116.319 -179.291 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 68.4 m -62.69 139.1 58.65 Favored 'General case' 0 C--O 1.25 1.112 0 CA-C-N 118.255 1.028 . . . . 16.329999999999998 110.784 176.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 641' ' ' LEU . . . . . . . . . . . . . 20.3 mt -75.62 132.08 40.39 Favored 'General case' 0 C--O 1.253 1.253 0 C-N-CA 120.059 -0.657 . . . . 22.960000000000001 110.66 173.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 86.8 t -136.76 137.43 23.48 Favored Pre-proline 0 N--CA 1.482 1.158 0 N-CA-C 107.751 -1.203 . . . . 19.73 107.751 -175.484 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.55 134.6 64.91 Favored 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 117.076 -1.482 . . . . 21.079999999999998 109.663 175.215 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 644' ' ' VAL . . . . . . . . . . . . . 26.8 m -52.98 -39.62 33.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 C-N-CA 120.006 -0.677 . . . . 27.989999999999998 112.728 -168.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 645' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -79.6 -7.82 58.78 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 119.26 -0.976 . . . . 29.77 112.279 -175.524 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 646' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -97.96 -0.62 44.47 Favored 'General case' 0 C--O 1.256 1.447 0 O-C-N 123.764 0.665 . . . . 30.649999999999999 109.801 176.289 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 647' ' ' MET . . . . . . . . . . . . . 51.8 tpp -61.74 -36.93 35.07 Favored Pre-proline 0 CA--C 1.553 1.093 0 C-N-CA 119.472 -0.891 . . . . 21.600000000000001 113.097 -178.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 648' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -57.9 -45.93 29.39 Favored 'Trans proline' 0 C--O 1.276 2.425 0 C-N-CA 116.416 -1.923 . . . . 19.559999999999999 113.857 176.769 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 55.6 mp0 -63.26 -35.02 78.96 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 123.715 0.634 . . . . 40.149999999999999 111.882 176.635 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 650' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -64.9 -40.83 95.7 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 120.051 -0.66 . . . . 16.719999999999999 111.059 176.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 651' ' ' MET . . . . . . . . . . . . . 76.9 mmm -69.15 -31.4 70.03 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 120.873 -1.142 . . . . 22.609999999999999 109.859 178.157 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 652' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -63.68 -41.67 98.12 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 107.436 -1.32 . . . . 25.899999999999999 107.436 176.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 653' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -58.49 -45.79 88.0 Favored 'General case' 0 C--O 1.261 1.701 0 N-CA-C 109.221 -0.659 . . . . 17.75 109.221 176.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -58.16 -46.09 86.3 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-N 118.677 0.671 . . . . 18.510000000000002 110.104 178.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 655' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -57.58 -48.04 80.46 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 124.468 1.105 . . . . 26.829999999999998 110.553 179.409 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -71.26 -35.88 71.56 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-O 122.279 1.038 . . . . 22.460000000000001 111.989 -175.017 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 50.1 tp -65.09 -37.89 88.96 Favored 'General case' 0 C--O 1.244 0.813 0 N-CA-C 109.19 -0.67 . . . . 27.170000000000002 109.19 -179.253 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 658' ' ' GLU . . . . . 0.541 ' OE2' ' NZ ' ' A' ' 637' ' ' LYS . 59.3 mt-10 -77.26 -10.82 59.66 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.134 0.79 . . . . 38.609999999999999 113.134 -177.236 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 28.7 mt -76.85 -42.92 38.26 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 107.437 -1.32 . . . . 43.240000000000002 107.437 172.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 . . . . . 0 C--O 1.242 0.67 0 N-CA-C 113.28 0.844 . . . . 58.539999999999999 113.28 176.468 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 702' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 703' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 704' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 801' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 802' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 803' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 804' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 805' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 806' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 807' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 808' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 809' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 810' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 811' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 812' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 813' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 814' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 815' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 816' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 817' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 630' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.501 2.09 0 CA-C-O 119.507 -0.282 . . . . 60.049999999999997 111.454 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 631' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.75 31.62 2.28 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-O 122.093 0.949 . . . . 57.280000000000001 109.559 160.039 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -131.76 139.6 48.99 Favored 'General case' 0 CA--C 1.498 -1.028 0 N-CA-C 107.585 -1.265 . . . . 46.810000000000002 107.585 -178.111 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 633' ' ' VAL . . . . . 0.558 HG23 ' CE ' ' A' ' 647' ' ' MET . 13.3 m -132.46 150.67 76.55 Favored Pre-proline 0 C--N 1.316 -0.878 0 N-CA-C 107.796 -1.186 . . . . 29.07 107.796 -175.382 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 634' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -75.72 132.63 14.68 Favored 'Trans proline' 0 C--O 1.249 1.052 0 CA-C-O 123.443 1.351 . . . . 23.620000000000001 111.769 175.053 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 635' ' ' CYS . . . . . . . . . . . . . 21.5 t -59.79 136.49 58.02 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 114.796 -1.093 . . . . 19.27 111.436 174.212 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -64.9 -29.42 70.36 Favored 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 114.782 1.401 . . . . 51.149999999999999 114.782 178.249 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -83.04 -46.54 12.72 Favored 'General case' 0 CA--C 1.498 -1.02 0 CA-C-N 118.249 0.477 . . . . 35.890000000000001 112.082 -176.73 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 638' ' ' CYS . . . . . . . . . . . . . 20.5 p -116.88 -10.62 10.97 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 117.943 -1.503 . . . . 19.120000000000001 114.955 -173.026 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . 82.85 -5.68 74.13 Favored Glycine 0 N--CA 1.472 1.044 0 N-CA-C 116.319 1.288 . . . . 17.859999999999999 116.319 -179.291 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 68.4 m -62.69 139.1 58.65 Favored 'General case' 0 C--O 1.25 1.112 0 CA-C-N 118.255 1.028 . . . . 16.329999999999998 110.784 176.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 641' ' ' LEU . . . . . . . . . . . . . 20.3 mt -75.62 132.08 40.39 Favored 'General case' 0 C--O 1.253 1.253 0 C-N-CA 120.059 -0.657 . . . . 22.960000000000001 110.66 173.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 86.8 t -136.76 137.43 23.48 Favored Pre-proline 0 N--CA 1.482 1.158 0 N-CA-C 107.751 -1.203 . . . . 19.73 107.751 -175.484 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.55 134.6 64.91 Favored 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 117.076 -1.482 . . . . 21.079999999999998 109.663 175.215 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 644' ' ' VAL . . . . . . . . . . . . . 26.8 m -52.98 -39.62 33.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 C-N-CA 120.006 -0.677 . . . . 27.989999999999998 112.728 -168.558 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 645' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -79.6 -7.82 58.78 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 119.26 -0.976 . . . . 29.77 112.279 -175.524 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 646' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -97.96 -0.62 44.47 Favored 'General case' 0 C--O 1.256 1.447 0 O-C-N 123.764 0.665 . . . . 30.649999999999999 109.801 176.289 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 647' ' ' MET . . . . . 0.558 ' CE ' HG23 ' A' ' 633' ' ' VAL . 51.8 tpp -61.74 -36.93 35.07 Favored Pre-proline 0 CA--C 1.553 1.093 0 C-N-CA 119.472 -0.891 . . . . 21.600000000000001 113.097 -178.858 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 648' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -57.9 -45.93 29.39 Favored 'Trans proline' 0 C--O 1.276 2.425 0 C-N-CA 116.416 -1.923 . . . . 19.559999999999999 113.857 176.769 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 55.6 mp0 -63.26 -35.02 78.96 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 123.715 0.634 . . . . 40.149999999999999 111.882 176.635 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 650' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -64.9 -40.83 95.7 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 120.051 -0.66 . . . . 16.719999999999999 111.059 176.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 651' ' ' MET . . . . . . . . . . . . . 76.9 mmm -69.15 -31.4 70.03 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 120.873 -1.142 . . . . 22.609999999999999 109.859 178.157 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 652' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -63.68 -41.67 98.12 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 107.436 -1.32 . . . . 25.899999999999999 107.436 176.787 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 653' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -58.49 -45.79 88.0 Favored 'General case' 0 C--O 1.261 1.701 0 N-CA-C 109.221 -0.659 . . . . 17.75 109.221 176.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -58.16 -46.09 86.3 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-N 118.677 0.671 . . . . 18.510000000000002 110.104 178.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 655' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -57.58 -48.04 80.46 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 124.468 1.105 . . . . 26.829999999999998 110.553 179.409 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -71.26 -35.88 71.56 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-O 122.279 1.038 . . . . 22.460000000000001 111.989 -175.017 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 50.1 tp -65.09 -37.89 88.96 Favored 'General case' 0 C--O 1.244 0.813 0 N-CA-C 109.19 -0.67 . . . . 27.170000000000002 109.19 -179.253 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 658' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -77.26 -10.82 59.66 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.134 0.79 . . . . 38.609999999999999 113.134 -177.236 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 28.7 mt -76.85 -42.92 38.26 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 107.437 -1.32 . . . . 43.240000000000002 107.437 172.426 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 . . . . . 0 C--O 1.242 0.67 0 N-CA-C 113.28 0.844 . . . . 58.539999999999999 113.28 176.468 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 702' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 703' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 704' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 801' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 802' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 803' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 804' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 805' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 806' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 807' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 808' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 809' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 810' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 811' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 812' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 813' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 814' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 815' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 816' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 817' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 630' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.501 2.09 0 CA-C-O 119.507 -0.282 . . . . 60.049999999999997 111.454 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 631' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.75 31.62 2.28 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-O 122.093 0.949 . . . . 57.280000000000001 109.559 160.039 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -131.76 139.6 48.99 Favored 'General case' 0 CA--C 1.498 -1.028 0 N-CA-C 107.585 -1.265 . . . . 46.810000000000002 107.585 -178.111 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 633' ' ' VAL . . . . . 0.558 HG23 ' CE ' ' A' ' 647' ' ' MET . 13.3 m -132.46 150.67 76.55 Favored Pre-proline 0 C--N 1.316 -0.878 0 N-CA-C 107.796 -1.186 . . . . 29.07 107.796 -175.382 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 634' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -75.72 132.63 14.68 Favored 'Trans proline' 0 C--O 1.249 1.052 0 CA-C-O 123.443 1.351 . . . . 23.620000000000001 111.769 175.053 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 635' ' ' CYS . . . . . . . . . . . . . 21.5 t -59.79 136.49 58.02 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 114.796 -1.093 . . . . 19.27 111.436 174.212 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -64.9 -29.42 70.36 Favored 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 114.782 1.401 . . . . 51.149999999999999 114.782 178.249 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -83.04 -46.54 12.72 Favored 'General case' 0 CA--C 1.498 -1.02 0 CA-C-N 118.249 0.477 . . . . 35.890000000000001 112.082 -176.73 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 638' ' ' CYS . . . . . . . . . . . . . 20.5 p -116.88 -10.62 10.97 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 117.943 -1.503 . . . . 19.120000000000001 114.955 -173.026 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . 82.85 -5.68 74.13 Favored Glycine 0 N--CA 1.472 1.044 0 N-CA-C 116.319 1.288 . . . . 17.859999999999999 116.319 -179.291 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 68.4 m -62.69 139.1 58.65 Favored 'General case' 0 C--O 1.25 1.112 0 CA-C-N 118.255 1.028 . . . . 16.329999999999998 110.784 176.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 641' ' ' LEU . . . . . . . . . . . . . 20.3 mt -75.62 132.08 40.39 Favored 'General case' 0 C--O 1.253 1.253 0 C-N-CA 120.059 -0.657 . . . . 22.960000000000001 110.66 173.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 86.8 t -136.76 137.43 23.48 Favored Pre-proline 0 N--CA 1.482 1.158 0 N-CA-C 107.751 -1.203 . . . . 19.73 107.751 -175.484 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.55 134.6 64.91 Favored 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 117.076 -1.482 . . . . 21.079999999999998 109.663 175.215 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 644' ' ' VAL . . . . . . . . . . . . . 26.8 m -52.98 -39.62 33.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 C-N-CA 120.006 -0.677 . . . . 27.989999999999998 112.728 -168.558 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 645' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -79.6 -7.82 58.78 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 119.26 -0.976 . . . . 29.77 112.279 -175.524 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 646' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -97.96 -0.62 44.47 Favored 'General case' 0 C--O 1.256 1.447 0 O-C-N 123.764 0.665 . . . . 30.649999999999999 109.801 176.289 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 647' ' ' MET . . . . . 0.558 ' CE ' HG23 ' A' ' 633' ' ' VAL . 51.8 tpp -61.74 -36.93 35.07 Favored Pre-proline 0 CA--C 1.553 1.093 0 C-N-CA 119.472 -0.891 . . . . 21.600000000000001 113.097 -178.858 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 648' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -57.9 -45.93 29.39 Favored 'Trans proline' 0 C--O 1.276 2.425 0 C-N-CA 116.416 -1.923 . . . . 19.559999999999999 113.857 176.769 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 55.6 mp0 -63.26 -35.02 78.96 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 123.715 0.634 . . . . 40.149999999999999 111.882 176.635 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 650' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -64.9 -40.83 95.7 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 120.051 -0.66 . . . . 16.719999999999999 111.059 176.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 651' ' ' MET . . . . . . . . . . . . . 76.9 mmm -69.15 -31.4 70.03 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 120.873 -1.142 . . . . 22.609999999999999 109.859 178.157 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 652' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -63.68 -41.67 98.12 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 107.436 -1.32 . . . . 25.899999999999999 107.436 176.787 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 653' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -58.49 -45.79 88.0 Favored 'General case' 0 C--O 1.261 1.701 0 N-CA-C 109.221 -0.659 . . . . 17.75 109.221 176.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -58.16 -46.09 86.3 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-N 118.677 0.671 . . . . 18.510000000000002 110.104 178.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 655' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -57.58 -48.04 80.46 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 124.468 1.105 . . . . 26.829999999999998 110.553 179.409 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -71.26 -35.88 71.56 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-O 122.279 1.038 . . . . 22.460000000000001 111.989 -175.017 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 50.1 tp -65.09 -37.89 88.96 Favored 'General case' 0 C--O 1.244 0.813 0 N-CA-C 109.19 -0.67 . . . . 27.170000000000002 109.19 -179.253 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 658' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -77.26 -10.82 59.66 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.134 0.79 . . . . 38.609999999999999 113.134 -177.236 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 28.7 mt -76.85 -42.92 38.26 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 107.437 -1.32 . . . . 43.240000000000002 107.437 172.426 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 . . . . . 0 C--O 1.242 0.67 0 N-CA-C 113.28 0.844 . . . . 58.539999999999999 113.28 176.468 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 702' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 703' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 704' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 801' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 802' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 803' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 804' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 805' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 806' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 807' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 808' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 809' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 810' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 811' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 812' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 813' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 814' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 815' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 816' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 817' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_