data_2oxk_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 2oxk _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 ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.166 . . . . . . . . 24.18 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -44.01 -43.96 7.02 Favored 'General case' 0 C--O 1.199 -1.573 0 C-N-CA 127.537 2.335 . . . . 37.69 113.7 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.9 mmm -66.97 -59.98 3.03 Favored 'General case' 0 C--O 1.248 1.008 0 N-CA-C 115.883 1.808 . . . . 38.27 115.883 -171.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' B3K . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -61.15 -47.9 84.07 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 117.118 2.266 . . . . 33.85 117.118 -175.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 47.7 mt -60.17 -55.11 26.38 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.177 0 N-CA-C 107.837 -1.172 . . . . 18.92 107.837 176.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -63.65 -39.21 93.78 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 114.222 1.193 . . . . 29.83 114.222 -172.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' B3D . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . . . -63.75 -37.63 88.08 Favored 'General case' 0 C--O 1.212 -0.901 0 N-CA-C 114.994 1.479 . . . . 16.89 114.994 -178.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.0 mt -76.83 -43.89 34.58 Favored 'General case' 0 N--CA 1.44 -0.941 0 O-C-N 121.277 -0.89 . . . . 14.08 110.292 -175.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' B3E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -59.13 -45.65 90.37 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 118.312 2.708 . . . . 28.33 118.312 -175.125 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.3 mt -65.76 -50.47 70.63 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.558 0 C-N-CA 122.869 0.468 . . . . 14.19 109.81 175.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.3 mt -67.1 -39.12 86.67 Favored 'General case' 0 CA--C 1.503 -0.853 0 N-CA-C 113.526 0.936 . . . . 15.31 113.526 -176.324 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' B3S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -56.69 -50.74 71.26 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 116.961 2.208 . . . . 28.52 116.961 -178.011 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.8 mt -72.66 -47.74 44.99 Favored 'General case' 0 N--CA 1.416 -2.169 0 C-N-CA 120.058 -0.657 . . . . 11.47 109.317 -174.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' B3Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -57.77 -49.58 76.12 Favored 'General case' 0 C--O 1.21 -0.98 0 N-CA-C 116.486 2.032 . . . . 21.35 116.486 -177.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 83.5 mt -63.83 -44.02 98.03 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.707 0 CA-C-O 118.753 -0.641 . . . . 10.79 112.654 179.944 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -67.39 -36.51 81.46 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 114.373 1.249 . . . . 24.83 114.373 174.402 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' B3X . . . . . 0.489 ' OE1' ' H ' ' A' ' 35' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -68.75 -47.53 66.03 Favored 'General case' 0 C--O 1.202 -1.406 0 N-CA-C 115.723 1.749 . . . . 21.31 115.723 -176.038 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.1 mt -71.62 -43.67 65.77 Favored 'General case' 0 CA--C 1.5 -0.956 0 CA-C-N 119.764 1.166 . . . . 9.88 113.208 -176.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' B3A . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 65.3 mtt-85 -59.43 -41.43 89.53 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 114.459 1.281 . . . . 10.46 114.459 -173.035 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 44.9 mt -78.74 -45.12 25.37 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.1 0 O-C-N 124.146 0.903 . . . . 10.5 109.548 -170.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -71.29 -35.08 71.19 Favored 'General case' 0 C--N 1.314 -0.957 0 O-C-N 123.232 0.332 . . . . 18.62 110.476 -179.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' B3K . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.7 mt -57.01 -31.67 65.35 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 116.87 2.174 . . . . 14.59 116.87 -175.214 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 42.9 mt -100.19 1.62 42.16 Favored 'General case' 0 CA--C 1.499 -1.005 0 N-CA-C 114.34 1.237 . . . . 18.12 114.34 -178.081 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' BAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -70.64 150.24 46.21 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 118.892 -0.575 . . . . 33.9 109.54 178.291 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.891 0 CA-C-O 122.294 1.045 . . . . 34.72 110.523 172.395 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' FMT . . . . . 0.489 ' H ' ' OE1' ' A' ' 21' ' ' B3X . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.166 . . . . . . . . 24.18 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -44.01 -43.96 7.02 Favored 'General case' 0 C--O 1.199 -1.573 0 C-N-CA 127.537 2.335 . . . . 37.69 113.7 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.9 mmm -66.97 -59.98 3.03 Favored 'General case' 0 C--O 1.248 1.008 0 N-CA-C 115.883 1.808 . . . . 38.27 115.883 -171.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' B3K . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -61.15 -47.9 84.07 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 117.118 2.266 . . . . 33.85 117.118 -175.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 47.7 mt -60.17 -55.11 26.38 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.177 0 N-CA-C 107.837 -1.172 . . . . 18.84 107.837 176.946 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -63.65 -39.21 93.78 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 114.222 1.193 . . . . 29.83 114.222 -172.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' B3D . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . . . -63.75 -37.63 88.08 Favored 'General case' 0 C--O 1.212 -0.901 0 N-CA-C 114.994 1.479 . . . . 16.85 114.994 -178.251 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.0 mt -76.83 -43.89 34.58 Favored 'General case' 0 N--CA 1.44 -0.941 0 O-C-N 121.277 -0.89 . . . . 14.08 110.292 -175.447 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' B3E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -59.13 -45.65 90.37 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 118.312 2.708 . . . . 28.33 118.312 -175.125 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.3 mt -65.76 -50.47 70.63 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.558 0 C-N-CA 122.869 0.468 . . . . 14.14 109.81 175.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.3 mt -67.1 -39.12 86.67 Favored 'General case' 0 CA--C 1.503 -0.853 0 N-CA-C 113.526 0.936 . . . . 15.15 113.526 -176.324 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' B3S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -56.69 -50.74 71.26 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 116.961 2.208 . . . . 28.26 116.961 -178.011 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.8 mt -72.66 -47.74 44.99 Favored 'General case' 0 N--CA 1.416 -2.169 0 C-N-CA 120.058 -0.657 . . . . 11.26 109.317 -174.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' B3Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -57.77 -49.58 76.12 Favored 'General case' 0 C--O 1.21 -0.98 0 N-CA-C 116.486 2.032 . . . . 21.03 116.486 -177.511 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 83.5 mt -63.83 -44.02 98.03 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.707 0 CA-C-O 118.753 -0.641 . . . . 10.79 112.654 179.944 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -67.39 -36.51 81.46 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 114.373 1.249 . . . . 24.83 114.373 174.402 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' B3X . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -68.75 -47.53 66.03 Favored 'General case' 0 C--O 1.202 -1.406 0 N-CA-C 115.723 1.749 . . . . 21.31 115.723 -176.038 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.1 mt -71.62 -43.67 65.77 Favored 'General case' 0 CA--C 1.5 -0.956 0 CA-C-N 119.764 1.166 . . . . 9.88 113.208 -176.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' B3A . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 65.3 mtt-85 -59.43 -41.43 89.53 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 114.459 1.281 . . . . 14.32 114.459 -173.035 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 44.9 mt -78.74 -45.12 25.37 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.1 0 O-C-N 124.146 0.903 . . . . 10.5 109.548 -170.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -71.29 -35.08 71.19 Favored 'General case' 0 C--N 1.314 -0.957 0 O-C-N 123.232 0.332 . . . . 18.62 110.476 -179.621 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' B3K . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.7 mt -57.01 -31.67 65.35 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 116.87 2.174 . . . . 14.59 116.87 -175.214 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 42.9 mt -100.19 1.62 42.16 Favored 'General case' 0 CA--C 1.499 -1.005 0 N-CA-C 114.34 1.237 . . . . 18.12 114.34 -178.081 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' BAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -70.64 150.24 46.21 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 118.892 -0.575 . . . . 33.9 109.54 178.291 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.891 0 CA-C-O 122.294 1.045 . . . . 34.72 110.523 172.395 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 34' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 35' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 36' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 37' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 38' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.166 . . . . . . . . 24.18 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.484 HH11 HE22 ' A' ' 4' ' ' GLN . 18.3 mmt180 -44.01 -43.96 7.02 Favored 'General case' 0 C--O 1.199 -1.573 0 C-N-CA 127.537 2.335 . . . . 37.69 113.7 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.9 mmm -66.97 -59.98 3.03 Favored 'General case' 0 C--O 1.248 1.008 0 N-CA-C 115.883 1.808 . . . . 38.27 115.883 -171.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' B3K . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.484 HE22 HH11 ' A' ' 1' ' ' ARG . 24.7 mt-30 -61.15 -47.9 84.07 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 117.118 2.266 . . . . 33.85 117.118 -175.435 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 47.7 mt -60.17 -55.11 26.38 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.177 0 N-CA-C 107.837 -1.172 . . . . 18.84 107.837 176.946 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -63.65 -39.21 93.78 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 114.222 1.193 . . . . 29.83 114.222 -172.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' B3D . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . . . -63.75 -37.63 88.08 Favored 'General case' 0 C--O 1.212 -0.901 0 N-CA-C 114.994 1.479 . . . . 16.85 114.994 -178.251 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.0 mt -76.83 -43.89 34.58 Favored 'General case' 0 N--CA 1.44 -0.941 0 O-C-N 121.277 -0.89 . . . . 14.08 110.292 -175.447 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' B3E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -59.13 -45.65 90.37 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 118.312 2.708 . . . . 28.33 118.312 -175.125 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.3 mt -65.76 -50.47 70.63 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.558 0 C-N-CA 122.869 0.468 . . . . 14.14 109.81 175.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.3 mt -67.1 -39.12 86.67 Favored 'General case' 0 CA--C 1.503 -0.853 0 N-CA-C 113.526 0.936 . . . . 15.15 113.526 -176.324 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' B3S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -56.69 -50.74 71.26 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 116.961 2.208 . . . . 28.26 116.961 -178.011 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.8 mt -72.66 -47.74 44.99 Favored 'General case' 0 N--CA 1.416 -2.169 0 C-N-CA 120.058 -0.657 . . . . 11.26 109.317 -174.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' B3Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -57.77 -49.58 76.12 Favored 'General case' 0 C--O 1.21 -0.98 0 N-CA-C 116.486 2.032 . . . . 21.03 116.486 -177.511 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 83.5 mt -63.83 -44.02 98.03 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.707 0 CA-C-O 118.753 -0.641 . . . . 10.79 112.654 179.944 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -67.39 -36.51 81.46 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 114.373 1.249 . . . . 24.83 114.373 174.402 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' B3X . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -68.75 -47.53 66.03 Favored 'General case' 0 C--O 1.202 -1.406 0 N-CA-C 115.723 1.749 . . . . 21.31 115.723 -176.038 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.1 mt -71.62 -43.67 65.77 Favored 'General case' 0 CA--C 1.5 -0.956 0 CA-C-N 119.764 1.166 . . . . 9.88 113.208 -176.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' B3A . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 65.3 mtt-85 -59.43 -41.43 89.53 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 114.459 1.281 . . . . 14.32 114.459 -173.035 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 44.9 mt -78.74 -45.12 25.37 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.1 0 O-C-N 124.146 0.903 . . . . 10.5 109.548 -170.76 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -71.29 -35.08 71.19 Favored 'General case' 0 C--N 1.314 -0.957 0 O-C-N 123.232 0.332 . . . . 18.62 110.476 -179.621 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' B3K . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.7 mt -57.01 -31.67 65.35 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 116.87 2.174 . . . . 14.59 116.87 -175.214 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 42.9 mt -100.19 1.62 42.16 Favored 'General case' 0 CA--C 1.499 -1.005 0 N-CA-C 114.34 1.237 . . . . 18.12 114.34 -178.081 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' BAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -70.64 150.24 46.21 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 118.892 -0.575 . . . . 33.9 109.54 178.291 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.891 0 CA-C-O 122.294 1.045 . . . . 34.72 110.523 172.395 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_