data_4ttl_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 4ttl _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' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.192 0 N-CA-C 111.356 -0.698 . . . . 20.24 111.356 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 39.9 t -46.52 -44.8 18.06 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.082 0.467 . . . . 20.82 111.945 179.427 175.412 68.557 -101.09 107.453 2.051 104.051 -91.407 -159.991 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.3 m -73.47 -9.54 58.79 Favored 'General case' 0 C--O 1.244 0.815 0 C-N-CA 119.924 -0.711 . . . . 22.5 112.591 -170.161 -62.038 -56.957 -87.769 106.759 2.028 101.353 -57.867 -61.993 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 55.1 p -95.97 -3.84 44.37 Favored 'General case' 0 N--CA 1.462 0.127 0 O-C-N 123.746 0.654 . . . . 21.84 111.145 176.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -103.86 116.12 62.23 Favored Pre-proline 0 C--O 1.22 -0.486 0 N-CA-C 107.476 -1.305 . . . . 25.42 107.476 174.35 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_exo -52.78 -39.07 78.33 Favored 'Trans proline' 0 C--O 1.24 0.601 0 N-CA-C 115.166 1.179 . . . . 21.75 115.166 -172.947 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 62.4 ttp85 -66.85 -47.02 73.23 Favored 'General case' 0 C--O 1.252 1.189 0 CA-C-O 122.095 0.95 . . . . 32.53 111.264 179.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.4 t -64.94 -40.14 94.58 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 114.945 -1.025 . . . . 20.66 110.605 -179.235 -159.991 -91.407 -101.09 104.051 2.051 107.453 68.557 175.412 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -60.14 -51.15 70.85 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 114.452 -1.249 . . . . 18.66 110.054 178.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -53.8 -45.43 70.75 Favored 'General case' 0 C--O 1.242 0.666 0 N-CA-C 111.866 0.321 . . . . 20.52 111.866 176.644 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -74.55 -13.66 60.7 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 114.563 1.32 . . . . 27.74 114.563 -177.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -127.97 61.26 50.92 Favored Pre-proline 0 C--O 1.253 1.288 0 N-CA-C 113.967 1.099 . . . . 21.74 113.967 -177.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -64.99 -27.52 58.04 Favored 'Trans proline' 0 C--N 1.345 0.343 0 O-C-N 122.363 0.665 . . . . 22.79 113.759 -176.485 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -69.34 -52.37 27.87 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 119.757 -0.777 . . . . 28.42 110.523 -178.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.4 mm -65.18 -34.95 74.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 N-CA-C 112.115 0.413 . . . . 38.0 112.115 177.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.5 m -96.02 -6.75 38.07 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 113.377 0.88 . . . . 25.65 113.377 -173.8 -61.993 -57.867 -87.769 101.353 2.028 106.759 -56.957 -62.038 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -76.81 -13.92 83.09 Favored Glycine 0 N--CA 1.45 -0.404 0 N-CA-C 115.76 1.064 . . . . 43.02 115.76 -172.727 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.25 -102.64 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.249 0 N-CA-C 108.241 -1.944 . . . . 45.93 108.241 172.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.03 124.3 51.21 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.137 -1.431 . . . . 46.48 107.137 164.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.84 119.79 20.31 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.116 -0.698 . . . . 29.84 109.116 176.269 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -127.5 -149.86 7.26 Favored Glycine 0 CA--C 1.52 0.364 0 C-N-CA 121.484 -0.389 . . . . 25.06 112.967 -178.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 0.109 0 N-CA-C 114.412 0.525 . . . . 27.0 114.412 -175.143 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.192 0 N-CA-C 111.356 -0.698 . . . . 20.239999999999998 111.356 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 39.9 t -46.52 -44.8 18.06 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.082 0.467 . . . . 20.82 111.945 179.427 175.412 68.557 -101.09 107.453 2.051 104.051 -91.407 -159.991 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.3 m -73.47 -9.54 58.79 Favored 'General case' 0 C--O 1.244 0.815 0 C-N-CA 119.924 -0.711 . . . . 22.5 112.591 -170.161 -62.038 -56.957 -87.769 106.759 2.028 101.353 -57.867 -61.993 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 55.1 p -95.97 -3.84 44.37 Favored 'General case' 0 N--CA 1.462 0.127 0 O-C-N 123.746 0.654 . . . . 21.84 111.145 176.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -103.86 116.12 62.23 Favored Pre-proline 0 C--O 1.22 -0.486 0 N-CA-C 107.476 -1.305 . . . . 25.420000000000002 107.476 174.35 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_exo -52.78 -39.07 78.33 Favored 'Trans proline' 0 C--O 1.24 0.601 0 N-CA-C 115.166 1.179 . . . . 21.75 115.166 -172.947 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 62.4 ttp85 -66.85 -47.02 73.23 Favored 'General case' 0 C--O 1.252 1.189 0 CA-C-O 122.095 0.95 . . . . 32.530000000000001 111.264 179.258 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.4 t -64.94 -40.14 94.58 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 114.945 -1.025 . . . . 20.66 110.605 -179.235 -159.991 -91.407 -101.09 104.051 2.051 107.453 68.557 175.412 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -60.14 -51.15 70.85 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 114.452 -1.249 . . . . 18.66 110.054 178.018 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -53.8 -45.43 70.75 Favored 'General case' 0 C--O 1.242 0.666 0 N-CA-C 111.866 0.321 . . . . 20.52 111.866 176.644 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -74.55 -13.66 60.7 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 114.563 1.32 . . . . 27.739999999999998 114.563 -177.347 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -127.97 61.26 50.92 Favored Pre-proline 0 C--O 1.253 1.288 0 N-CA-C 113.967 1.099 . . . . 21.739999999999998 113.967 -177.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -64.99 -27.52 58.04 Favored 'Trans proline' 0 C--N 1.345 0.343 0 O-C-N 122.363 0.665 . . . . 22.789999999999999 113.759 -176.485 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -69.34 -52.37 27.87 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 119.757 -0.777 . . . . 28.420000000000002 110.523 -178.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.4 mm -65.18 -34.95 74.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 N-CA-C 112.115 0.413 . . . . 38.0 112.115 177.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.5 m -96.02 -6.75 38.07 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 113.377 0.88 . . . . 25.649999999999999 113.377 -173.8 -61.993 -57.867 -87.769 101.353 2.028 106.759 -56.957 -62.038 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -76.81 -13.92 83.09 Favored Glycine 0 N--CA 1.45 -0.404 0 N-CA-C 115.76 1.064 . . . . 43.020000000000003 115.76 -172.727 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.25 -102.64 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.249 0 N-CA-C 108.241 -1.944 . . . . 45.93 108.241 172.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.03 124.3 51.21 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.137 -1.431 . . . . 46.479999999999997 107.137 164.225 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.84 119.79 20.31 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.116 -0.698 . . . . 29.84 109.116 176.269 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -127.5 -149.86 7.26 Favored Glycine 0 CA--C 1.52 0.364 0 C-N-CA 121.484 -0.389 . . . . 25.059999999999999 112.967 -178.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 0.109 0 N-CA-C 114.412 0.525 . . . . 27.0 114.412 -175.143 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.192 0 N-CA-C 111.356 -0.698 . . . . 20.239999999999998 111.356 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 39.9 t -46.52 -44.8 18.06 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.082 0.467 . . . . 20.82 111.945 179.427 175.412 68.557 -101.09 107.453 2.051 104.051 -91.407 -159.991 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.3 m -73.47 -9.54 58.79 Favored 'General case' 0 C--O 1.244 0.815 0 C-N-CA 119.924 -0.711 . . . . 22.5 112.591 -170.161 -62.038 -56.957 -87.769 106.759 2.028 101.353 -57.867 -61.993 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 55.1 p -95.97 -3.84 44.37 Favored 'General case' 0 N--CA 1.462 0.127 0 O-C-N 123.746 0.654 . . . . 21.84 111.145 176.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -103.86 116.12 62.23 Favored Pre-proline 0 C--O 1.22 -0.486 0 N-CA-C 107.476 -1.305 . . . . 25.420000000000002 107.476 174.35 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_exo -52.78 -39.07 78.33 Favored 'Trans proline' 0 C--O 1.24 0.601 0 N-CA-C 115.166 1.179 . . . . 21.75 115.166 -172.947 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 62.4 ttp85 -66.85 -47.02 73.23 Favored 'General case' 0 C--O 1.252 1.189 0 CA-C-O 122.095 0.95 . . . . 32.530000000000001 111.264 179.258 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.4 t -64.94 -40.14 94.58 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 114.945 -1.025 . . . . 20.66 110.605 -179.235 -159.991 -91.407 -101.09 104.051 2.051 107.453 68.557 175.412 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -60.14 -51.15 70.85 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 114.452 -1.249 . . . . 18.66 110.054 178.018 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -53.8 -45.43 70.75 Favored 'General case' 0 C--O 1.242 0.666 0 N-CA-C 111.866 0.321 . . . . 20.52 111.866 176.644 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -74.55 -13.66 60.7 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 114.563 1.32 . . . . 27.739999999999998 114.563 -177.347 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -127.97 61.26 50.92 Favored Pre-proline 0 C--O 1.253 1.288 0 N-CA-C 113.967 1.099 . . . . 21.739999999999998 113.967 -177.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -64.99 -27.52 58.04 Favored 'Trans proline' 0 C--N 1.345 0.343 0 O-C-N 122.363 0.665 . . . . 22.789999999999999 113.759 -176.485 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -69.34 -52.37 27.87 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 119.757 -0.777 . . . . 28.420000000000002 110.523 -178.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.4 mm -65.18 -34.95 74.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 N-CA-C 112.115 0.413 . . . . 38.0 112.115 177.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.5 m -96.02 -6.75 38.07 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 113.377 0.88 . . . . 25.649999999999999 113.377 -173.8 -61.993 -57.867 -87.769 101.353 2.028 106.759 -56.957 -62.038 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -76.81 -13.92 83.09 Favored Glycine 0 N--CA 1.45 -0.404 0 N-CA-C 115.76 1.064 . . . . 43.020000000000003 115.76 -172.727 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.25 -102.64 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.249 0 N-CA-C 108.241 -1.944 . . . . 45.93 108.241 172.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.03 124.3 51.21 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.137 -1.431 . . . . 46.479999999999997 107.137 164.225 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.84 119.79 20.31 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.116 -0.698 . . . . 29.84 109.116 176.269 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -127.5 -149.86 7.26 Favored Glycine 0 CA--C 1.52 0.364 0 C-N-CA 121.484 -0.389 . . . . 25.059999999999999 112.967 -178.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 0.109 0 N-CA-C 114.412 0.525 . . . . 27.0 114.412 -175.143 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_